Experiment: 1P7C

X-RAY DIFFRACTION

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

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, HANGING DROP	6.75		Ammonium sulfate, Tris, TP5A, pH 6.75, VAPOR DIFFUSION, HANGING DROP

Crystal Properties
Matthews coefficient	Solvent content
2.43	49.34

Symmetry
Space Group	C 2 2 21

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 4		2000-11-01	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	APS BEAMLINE 14-BM-C	1.0	APS	14-BM-C

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (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						41672

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 (All)	R-Factor (Observed)	R-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	PDB ENTRY 1VTK	2.1	35.94	37137	4142	96.94	0.2436	0.2436	0.23897	0.28458	RANDOM	27.634

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]
-0.53			1.82		-1.29

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_1_deg	5.624
r_scangle_it	3.005
r_scbond_it	1.837
r_angle_refined_deg	1.429
r_mcangle_it	1.3
r_mcbond_it	0.703
r_symmetry_hbond_refined	0.338
r_symmetry_vdw_refined	0.244
r_nbd_refined	0.213
r_xyhbond_nbd_refined	0.176

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_1_deg	5.624
r_scangle_it	3.005
r_scbond_it	1.837
r_angle_refined_deg	1.429
r_mcangle_it	1.3
r_mcbond_it	0.703
r_symmetry_hbond_refined	0.338
r_symmetry_vdw_refined	0.244
r_nbd_refined	0.213
r_xyhbond_nbd_refined	0.176
r_chiral_restr	0.09
r_bond_refined_d	0.011
r_gen_planes_refined	0.005
r_bond_other_d
r_angle_other_deg
r_dihedral_angle_2_deg
r_gen_planes_other
r_nbd_other
r_nbtor_other
r_xyhbond_nbd_other
r_symmetry_vdw_other
r_symmetry_hbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded