Experiment: 3JV7

X-RAY DIFFRACTION

Starting Model(s)

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	2EER	PDB ENTRY 2EER, 1JVB, 2H6E, 1RJW, 2HCY
experimental model	PDB	1JVB	PDB ENTRY 2EER, 1JVB, 2H6E, 1RJW, 2HCY
experimental model	PDB	2H6E	PDB ENTRY 2EER, 1JVB, 2H6E, 1RJW, 2HCY
experimental model	PDB	1RJW	PDB ENTRY 2EER, 1JVB, 2H6E, 1RJW, 2HCY
experimental model	PDB	2HCY	PDB ENTRY 2EER, 1JVB, 2H6E, 1RJW, 2HCY

Crystallization

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		5.5	298	0.1M AMMONIUM ACETATE, 0.1M BIS-TRIS, 17% PEG-10000, pH5.5, batch crystallization, temperature 298K

Crystal Properties
Matthews coefficient	Solvent content
2.7	54.51

Crystal Data

Unit Cell
Length ( ? )	Angle ( ? )
a = 65.822	�� = 90
b = 106.119	�� = 91.26
c = 109.097	�� = 90

Symmetry
Space Group	P 1 21 1

Diffraction

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	CCD	MARMOSAIC 225 mm CCD		2009-07-15	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	SLS BEAMLINE X06DA	1.08150	SLS	X06DA

Data Collection

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Sym I (Observed)	Net I Over Average Sigma (I)	Redundancy	Number Reflections (All)	Number Reflections (Observed)	Observed Criterion Sigma (F)	Observed Criterion Sigma (I)	B (Isotropic) From Wilson Plot
1	2	40	98.4	0.075	11.87	3.7	99524	99524		-3	31.821

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
	2	2.17	98.9		0.334	3.6	3.7	21640

Refinement

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	Resolution (High)	Resolution (Low)	Cut-off Sigma (F)	Number Reflections (All)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (Observed)	R-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	PDB ENTRY 2EER, 1JVB, 2H6E, 1RJW, 2HCY	2	38.453	1.34	99493	99493	4985	98.4	0.162	0.159	0.206	RANDOM	29.825

Temperature Factor Modeling
Anisotropic B[1][1]	Anisotropic B[1][2]	Anisotropic B[1][3]	Anisotropic B[2][2]	Anisotropic B[2][3]	Anisotropic B[3][3]
-3.482		-0.386	2.786		0.695

RMS Deviations
Key	Refinement Restraint Deviation
f_dihedral_angle_d	14.563
f_angle_d	1.095
f_chiral_restr	0.065
f_bond_d	0.016
f_plane_restr	0.005

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	9892
Nucleic Acid Atoms
Solvent Atoms	1184
Heterogen Atoms	232

Software

Software
Software Name	Purpose
XSCALE	data processing
PHENIX	refinement
PDB_EXTRACT	data extraction
MAR345dtb	data collection
XDS	data reduction
XDS	data scaling
BALBES	phasing

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.