Experiment: 7OA5

X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	MICROBATCH	7.5	293	CRYSTALS GROWN UNDER OIL IN TERASAKI PLATES. DROPS FORMED FROM A 1:1 MIXTURE OF PROTEIN/DNA COMPLEX (10MG/ML COMPLEX, 20MM TRIS PH 7.5, 1MM EDTA, 0.1M NACL, 15% GLYCEROL) AND 1.4M NACITRATE, 0.1M TRIS PH 7.5., under oil

Crystal Properties
Matthews coefficient	Solvent content
3.35	63

Crystal Data

Unit Cell
Length ( Å )	Angle ( ˚ )
a = 141.35	α = 90
b = 141.35	β = 90
c = 106.47	γ = 120

Symmetry
Space Group	P 31

Diffraction

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	IMAGE PLATE	MARRESEARCH		1997-11-15	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	SRS BEAMLINE PX7.2	0.9366	SRS	PX7.2

Data Collection

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge I (Observed)	Rrim I (All)	Rpim I (All)	CC (Half)	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	2.38	70.67	99.4	0.076	0.099	0.063	0.992	9.1	2.4		95144

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	Rrim I (All)	Rpim I (All)	CC (Half)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	2.38	2.42	92.9		0.511	0.688	0.456	0.617	1.7	2

Refinement

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	Resolution (High)	Resolution (Low)	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	1bvs	2.378	53.06	95116	4597	99.4	0.2282	0.2271	0.2498	RANDOM	55.33

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]
-0.9669			-0.9669		1.9339

RMS Deviations
Key	Refinement Restraint Deviation
t_other_torsion	19.43
t_omega_torsion	3.05
t_angle_deg	0.95
t_bond_d	0.008
t_dihedral_angle_d
t_gen_planes
t_it
t_chiral_improper_torsion
t_ideal_dist_contact

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	10228
Nucleic Acid Atoms	1220
Solvent Atoms	456
Heterogen Atoms	2

Software

Software
Software Name	Purpose
BUSTER	refinement
MOSFLM	data reduction
Aimless	data scaling
PHENIX	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 R01GM133198.