Experiment: 2OSY

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, SITTING DROP	8.5	294	20% (w/v) PEG 3350; 0.175 M NaCl; 0.1 M Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K

Crystal Properties
Matthews coefficient	Solvent content
2.27	45.76

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	100	IMAGE PLATE	MAR scanner 345 mm plate		2006-03-15	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	ROTATING ANODE	RIGAKU	1.5418

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	2.1	50	99.7	0.061	12.5	4.1		54279			33.38

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)
	2.1	2.18	99.5		0.383		4.1	5402

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	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	2.1	18.73	54001	2757	99.37	0.208	0.205	0.251	RANDOM	21.719

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]
0.61		-0.13	0.15		-0.79

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	32.971
r_dihedral_angle_3_deg	12.974
r_dihedral_angle_4_deg	11.161
r_dihedral_angle_1_deg	6.692
r_scangle_it	2.559
r_scbond_it	1.751
r_angle_refined_deg	1.439
r_mcangle_it	1.159
r_angle_other_deg	0.979
r_mcbond_it	0.654

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	32.971
r_dihedral_angle_3_deg	12.974
r_dihedral_angle_4_deg	11.161
r_dihedral_angle_1_deg	6.692
r_scangle_it	2.559
r_scbond_it	1.751
r_angle_refined_deg	1.439
r_mcangle_it	1.159
r_angle_other_deg	0.979
r_mcbond_it	0.654
r_nbd_refined	0.208
r_nbd_other	0.199
r_nbtor_refined	0.177
r_mcbond_other	0.171
r_symmetry_vdw_other	0.17
r_xyhbond_nbd_refined	0.146
r_symmetry_vdw_refined	0.138
r_metal_ion_refined	0.104
r_nbtor_other	0.087
r_chiral_restr	0.08
r_bond_refined_d	0.014
r_symmetry_hbond_refined	0.013
r_gen_planes_refined	0.005
r_bond_other_d	0.002
r_gen_planes_other	0.001

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	6694
Nucleic Acid Atoms
Solvent Atoms	301
Heterogen Atoms	46