6FSX | pdb_00006fsx

The hit-and-return system enables efficient time-resolved serial synchrotron crystallography

PDB DOI: https://doi.org/10.2210/pdb6FSX/pdb

Classification: HYDROLASE
Organism(s): Rhodopseudomonas palustris CGA009
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2018-02-20 Released: 2018-10-24
Deposition Author(s): Schulz, E.C., Mehrabi, P., Mueller-werkmeiser, H., Tellkamp, F., Jha, A., Stuart, W., Persch, E., De Gasparo, R., Diederich, F., Pai, E., Miller, D.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.80 ?
R-Value Free:
0.211 (Depositor), 0.210 (DCC)
R-Value Work:
0.169 (Depositor), 0.170 (DCC)
R-Value Observed:
0.171 (Depositor)

wwPDB Validation 3D Report Full Report

This is version 1.2 of the entry. See complete history.

Literature

The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.

Schulz, E.C., Mehrabi, P., Muller-Werkmeister, H.M., Tellkamp, F., Jha, A., Stuart, W., Persch, E., De Gasparo, R., Diederich, F., Pai, E.F., Miller, R.J.D.

(2018) Nat Methods 15: 901-904

PubMed: 30377366 Search on PubMed
DOI: https://doi.org/10.1038/s41592-018-0180-2
Primary Citation of Related Structures:
6FSX, 6GXD, 6GXF, 6GXH, 6GXL, 6GXT

PubMed Abstract:
We present a 'hit-and-return' (HARE) method for time-resolved serial synchrotron crystallography with time resolution from milliseconds to seconds or longer. Timing delays are set mechanically, using the regular pattern in fixed-target crystallography chips and a translation stage system. Optical pump-probe experiments to capture intermediate structures of fluoroacetate dehalogenase binding to its ligand demonstrated that data can be collected at short (30?ms), medium (752?ms) and long (2,052?ms) intervals.

Organizational Affiliation

Department for Atomically Resolved Dynamics, Max Planck Institute for Structure and Dynamics of Matter, Hamburg, Germany.

Macromolecule Content

Total Structure Weight: 68.15 kDa
Atom Count: 5,034
Modelled Residue Count: 593
Deposited Residue Count: 612
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Fluoroacetate dehalogenase	A, B	306	Rhodopseudomonas palustris CGA009	Mutation(s): 0 Gene Names: RPA1163 EC: 3.8.1.3
UniProt
Find proteins for Q6NAM1 (Rhodopseudomonas palustris (strain ATCC BAA-98 / CGA009)) Explore Q6NAM1 Go to UniProtKB: Q6NAM1
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q6NAM1
Sequence Annotations Expand
Reference Sequence

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.80 ?
R-Value Free: 0.211 (Depositor), 0.210 (DCC)
R-Value Work: 0.169 (Depositor), 0.170 (DCC)
R-Value Observed: 0.171 (Depositor)

Space Group: P 1 2₁ 1

Unit Cell:

Length ( ? )	Angle ( ? )
a = 41.78	α = 90
b = 79.38	β = 102.88
c = 84.47	γ = 90

Software Package:

Software Name	Purpose
PHENIX	refinement
XDS	data reduction
XSCALE	data scaling
PHASER	phasing

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2018-10-24

Deposition Author(s):

Mueller-werkmeiser, H.

Revision History (Full details and data files)

Version 1.0: 2018-10-24
Type: Initial release
Version 1.1: 2018-11-14
Changes: Data collection, Database references
Version 1.2: 2024-05-08
Changes: Data collection, Database references

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.