1O4W | pdb_00001o4w

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	6	277	30% MPD, MES buffer pH 6.0, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K

Crystal Properties
Matthews coefficient	Solvent content
3.04	59.23

Symmetry
Space Group	P 31 2 1

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 315	flat mirror	2003-04-17	M	MAD

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	SSRL BEAMLINE BL11-1	0.98397, 0.97922, 0.91837, 0.97855	SSRL	BL11-1

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	1.9	31.86	99.9	0.05	25.3	8.8	14860	14860			48.07

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	1.9	1.95	99.9		0.638	2.3	4.9	1058

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	1.9	31.86	14131	728	99.87	0.19059	0.18843	0.2	0.23508	0.23	RANDOM	41.843

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]
1.05	0.52		1.05		-1.57

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	36.23
r_dihedral_angle_4_deg	15.595
r_dihedral_angle_3_deg	13.39
r_dihedral_angle_1_deg	5.088
r_scangle_it	4.391
r_scbond_it	2.797
r_mcangle_it	1.454
r_angle_refined_deg	1.225
r_mcbond_it	0.768
r_angle_other_deg	0.758

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	974
Nucleic Acid Atoms
Solvent Atoms	90
Heterogen Atoms

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	36.23
r_dihedral_angle_4_deg	15.595
r_dihedral_angle_3_deg	13.39
r_dihedral_angle_1_deg	5.088
r_scangle_it	4.391
r_scbond_it	2.797
r_mcangle_it	1.454
r_angle_refined_deg	1.225
r_mcbond_it	0.768
r_angle_other_deg	0.758
r_symmetry_vdw_other	0.213
r_nbd_refined	0.207
r_symmetry_vdw_refined	0.199
r_nbd_other	0.158
r_xyhbond_nbd_refined	0.146
r_symmetry_hbond_refined	0.118
r_nbtor_other	0.081
r_chiral_restr	0.076
r_bond_refined_d	0.018
r_gen_planes_refined	0.004
r_bond_other_d	0.001
r_gen_planes_other	0.001

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