Experiment: 5OWQ

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
other		STK10

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1M sodium formate, 15%(w/v) PEG 3350

Crystal Properties
Matthews coefficient	Solvent content
2.41	48.91

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	PIXEL	DECTRIS PILATUS 2M		2012-02-18	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	DIAMOND BEAMLINE I04-1	0.9173	Diamond	I04-1

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge I (Observed)	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	2.7	57.19	91.4	0.14	0.984	4.7	2.8		16619

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	CC (Half)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	2.7	2.86	91.8		0.61	0.692	1.3	2.7

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	STK10	2.7	57.19	15674	838	90.33	0.26535	0.26322	0.30495	RANDOM	54.895

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]
2.44		1.36	-0.89		-1.82

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	36.964
r_dihedral_angle_3_deg	18.044
r_dihedral_angle_4_deg	12.714
r_dihedral_angle_1_deg	7.346
r_long_range_B_refined	3.869
r_long_range_B_other	3.869
r_angle_refined_deg	1.693
r_scangle_other	1.535
r_mcangle_it	1.495
r_mcangle_other	1.495

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	36.964
r_dihedral_angle_3_deg	18.044
r_dihedral_angle_4_deg	12.714
r_dihedral_angle_1_deg	7.346
r_long_range_B_refined	3.869
r_long_range_B_other	3.869
r_angle_refined_deg	1.693
r_scangle_other	1.535
r_mcangle_it	1.495
r_mcangle_other	1.495
r_angle_other_deg	1.06
r_scbond_other	0.859
r_scbond_it	0.858
r_mcbond_it	0.817
r_mcbond_other	0.817
r_chiral_restr	0.093
r_bond_refined_d	0.014
r_gen_planes_refined	0.006
r_bond_other_d	0.002
r_gen_planes_other	0.002
r_nbd_refined
r_nbd_other
r_nbtor_refined
r_nbtor_other
r_xyhbond_nbd_refined
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_refined
r_symmetry_vdw_other
r_symmetry_hbond_refined
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_scangle_it
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded