9EQY | pdb_00009eqy

41fs pulse duration 100uJ pulse energy thaumatin

PDB DOI: https://doi.org/10.2210/pdb9EQY/pdb

Classification: PLANT PROTEIN
Organism(s): Thaumatococcus daniellii
Mutation(s): No

Deposited: 2024-03-22 Released: 2025-04-02
Deposition Author(s): Owen, R.L., Hough, M.A., Worrall, J., Williams, L.
Funding Organization(s): Not funded

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.37 ?
R-Value Free:
0.208 (Depositor), 0.204 (DCC)
R-Value Work:
0.186 (Depositor), 0.183 (DCC)

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

This is version 1.0 of the entry. See complete history.

Literature

Damage before destruction? X-ray induced changes in single pulse serial femtosecond crystallography

Williams, L.J., Thompson, A.J., Dijkstal, P., Appleby, M., Assman, G., Dworkowski, F.S.N., Hiller, N., Huang, C., Mason, T., Perrett, S., Prat, E., Voulot, D., Pedrinia, B., Beale, J.H., Hough, M.A., Worrall, J.A.R., Owen, R.L.

To be published.

Macromolecule Content

Total Structure Weight: 22.38 kDa
Atom Count: 1,793
Modelled Residue Count: 206
Deposited Residue Count: 207
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Thaumatin I	A	207	Thaumatococcus daniellii	Mutation(s): 0
UniProt
Find proteins for P02883 (Thaumatococcus daniellii) Explore P02883 Go to UniProtKB: P02883
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P02883
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
TLA Query on TLA Download Ideal Coordinates CCD File SDF format, chain B [auth A] MOL2 format, chain B [auth A] mmCIF format, chain B [auth A]	B [auth A]	L(+)-TARTARIC ACID C₄ H₆ O₆ FEWJPZIEWOKRBE-JCYAYHJZSA-N		Interactions Focus chain B [auth A] Interactions & Density Focus chain B [auth A]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 1.37 ?
R-Value Free: 0.208 (Depositor), 0.204 (DCC)
R-Value Work: 0.186 (Depositor), 0.183 (DCC)

Space Group: P 4₁ 2₁ 2

Unit Cell:

Length ( ? )	Angle ( ? )
a = 58.5	α = 90
b = 58.5	β = 90
c = 151.25	γ = 90

Software Package:

Software Name	Purpose
REFMAC	refinement
CrystFEL	data reduction
CrystFEL	data scaling
PHASER	phasing

Structure Validation

View Full Validation Report

Entry History & Funding Information

Deposition Data

Released Date: 2025-04-02

Deposition Author(s):

Funding Organization	Location	Grant Number
Not funded		--

Revision History (Full details and data files)

Version 1.0: 2025-04-02
Type: Initial release

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.