1O20 | pdb_00001o20

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		8.4	293	15% PEG MME 5000(30%), 0.06M Tris Cl(1M), 0.04M Tris_base(1M), VAPOR DIFFUSION,SITTING DROP,NANODROP, pH 8.40, temperature 293K

Crystal Properties
Matthews coefficient	Solvent content
2.57	51.67

Symmetry
Space Group	C 2 2 2

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	CCD	ADSC QUANTUM		2002-09-20	M	MAD

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	ALS BEAMLINE 5.0.2	0.9793, 0.9566, 0.9794	ALS	5.0.2

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	50	100	0.087	20.46	8.55		34597

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)
1	2	2.07	99.5		0.607	3.33	7.44

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 (Depositor)	R-Work (DCC)	R-Free (Depositor)	R-Free (DCC)	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MAD	THROUGHOUT	2	38.22	30837	2521	95.9	0.163	0.16	0.17	0.203	0.21	RANDOM	18.69

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]
-0.39			1.02		-0.64

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_1_deg	6.116
r_scangle_it	4.321
r_scbond_it	2.55
r_angle_refined_deg	1.532
r_mcangle_it	1.49
r_angle_other_deg	0.843
r_mcbond_it	0.816
r_symmetry_vdw_other	0.357
r_symmetry_hbond_refined	0.337
r_nbd_other	0.244

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_1_deg	6.116
r_scangle_it	4.321
r_scbond_it	2.55
r_angle_refined_deg	1.532
r_mcangle_it	1.49
r_angle_other_deg	0.843
r_mcbond_it	0.816
r_symmetry_vdw_other	0.357
r_symmetry_hbond_refined	0.337
r_nbd_other	0.244
r_nbd_refined	0.202
r_xyhbond_nbd_refined	0.178
r_symmetry_vdw_refined	0.145
r_chiral_restr	0.093
r_nbtor_other	0.087
r_bond_refined_d	0.016
r_gen_planes_refined	0.007
r_gen_planes_other	0.006
r_bond_other_d	0.002
r_dihedral_angle_2_deg
r_dihedral_angle_3_deg
r_dihedral_angle_4_deg
r_nbtor_refined
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_hbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	3227
Nucleic Acid Atoms
Solvent Atoms	299
Heterogen Atoms