Experiment: 2QO7

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	2GSF	PDB entry 2GSF

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	20 mg/mL Protein, 25% PEG 3350, 0.2M Ammonium sulfate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystal Properties
Matthews coefficient	Solvent content
1.82	32.3

Symmetry
Space Group	P 1 21 1

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	200	IMAGE PLATE	RIGAKU RAXIS IV		2006-07-11	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	ROTATING ANODE	RIGAKU FR-E+ SUPERBRIGHT

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge 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	1.6	25	92.5	0.045	12.2	2.6		37319

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	1.6	1.66	49.2		0.464		1.6	1967

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	PDB entry 2GSF	1.605	22.46	37308	1895	93.68	0.186	0.184	0.224	RANDOM	18.383

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]

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	33.949
r_dihedral_angle_4_deg	12.989
r_dihedral_angle_3_deg	11.908
r_dihedral_angle_1_deg	5.193
r_scangle_it	2.362
r_scbond_it	1.725
r_angle_refined_deg	1.287
r_mcangle_it	1.037
r_angle_other_deg	1.025
r_mcbond_it	0.922

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	33.949
r_dihedral_angle_4_deg	12.989
r_dihedral_angle_3_deg	11.908
r_dihedral_angle_1_deg	5.193
r_scangle_it	2.362
r_scbond_it	1.725
r_angle_refined_deg	1.287
r_mcangle_it	1.037
r_angle_other_deg	1.025
r_mcbond_it	0.922
r_nbd_refined	0.211
r_nbd_other	0.184
r_nbtor_refined	0.177
r_symmetry_vdw_other	0.174
r_symmetry_vdw_refined	0.17
r_mcbond_other	0.167
r_xyhbond_nbd_refined	0.157
r_chiral_restr	0.132
r_symmetry_hbond_refined	0.117
r_nbtor_other	0.081
r_metal_ion_refined	0.045
r_bond_refined_d	0.009
r_gen_planes_refined	0.004
r_gen_planes_other	0.002
r_bond_other_d	0.001

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	2219
Nucleic Acid Atoms
Solvent Atoms	240
Heterogen Atoms	48