Experiment: 1GVY

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	1J9Y	PDB ENTRY 1J9Y

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		7.5		100MM TRIS PH7.5, 26% PEG550, 9MM ZNSO4, pH 7.50

Crystal Properties
Matthews coefficient	Solvent content
2.69	53.86

Symmetry
Space Group	P 41

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 CCD	MIRRORS	2001-06-15	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	SRS BEAMLINE PX14.2		SRS	PX14.2

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	1.7	20	99.4	0.061	20.37	3.48		50905

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	1.7	1.76	96.4		0.172	6.75	2.57

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 1J9Y	1.7	20	48658	2609	99.6	0.145	0.144	0.17	RANDOM	14.67

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]
-0.47			-0.47		0.94

RMS Deviations
Key	Refinement Restraint Deviation
r_scangle_it	3.567
r_scbond_it	2.262
r_dihedral_angle_3_deg	1.995
r_angle_other_deg	1.723
r_mcangle_it	1.567
r_mcbond_it	0.957
r_nbtor_other	0.496
r_symmetry_vdw_refined	0.233
r_nbd_refined	0.226
r_nbd_other	0.2

RMS Deviations
Key	Refinement Restraint Deviation
r_scangle_it	3.567
r_scbond_it	2.262
r_dihedral_angle_3_deg	1.995
r_angle_other_deg	1.723
r_mcangle_it	1.567
r_mcbond_it	0.957
r_nbtor_other	0.496
r_symmetry_vdw_refined	0.233
r_nbd_refined	0.226
r_nbd_other	0.2
r_symmetry_vdw_other	0.172
r_xyhbond_nbd_refined	0.13
r_chiral_restr	0.122
r_metal_ion_refined	0.109
r_symmetry_hbond_refined	0.108
r_xyhbond_nbd_other	0.105
r_bond_refined_d	0.017
r_gen_planes_refined	0.009
r_gen_planes_other	0.005
r_bond_other_d	0.002
r_angle_refined_deg
r_dihedral_angle_1_deg
r_dihedral_angle_2_deg
r_dihedral_angle_4_deg
r_nbtor_refined
r_metal_ion_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_other
r_mcangle_other
r_scbond_other
r_scangle_other
r_long_range_B_refined
r_long_range_B_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded