Experiment: 2VPF

X-RAY DIFFRACTION

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

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, HANGING DROP	5.6		HANGING DROP, CRYSTALLIZED FROM 14 % PEG3350, 10% ISOPROPANOL, 0.2 M AMMONIUM ACETATE PH 5.6, vapor diffusion - hanging drop

Crystal Properties
Matthews coefficient	Solvent content
2.7	54

Symmetry
Space Group	P 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	PRINCETON 2K		1996-03-22	M

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	CHESS BEAMLINE F1		CHESS	F1

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	1.9	20	94	0.044	9.4	2.5		72050

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)
	1.9	2	80.8		0.127		1.5

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-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	PDB ENTRY 1VPF	1.93	16	68901	7074	94	0.209	0.272	RESOLUTION SHELLS	47.1

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]
-8.56	0.76	1.22	3.09	1.64	5.47

RMS Deviations
Key	Refinement Restraint Deviation
p_transverse_tor	29.9
p_staggered_tor	18.2
p_planar_tor	4.1
p_scangle_it	3.892
p_mcangle_it	2.778
p_scbond_it	2.468
p_mcbond_it	2.01
p_multtor_nbd	0.243
p_xyhbond_nbd	0.189
p_singtor_nbd	0.179

RMS Deviations
Key	Refinement Restraint Deviation
p_transverse_tor	29.9
p_staggered_tor	18.2
p_planar_tor	4.1
p_scangle_it	3.892
p_mcangle_it	2.778
p_scbond_it	2.468
p_mcbond_it	2.01
p_multtor_nbd	0.243
p_xyhbond_nbd	0.189
p_singtor_nbd	0.179
p_chiral_restr	0.113
p_planar_d	0.032
p_angle_d	0.03
p_bond_d	0.011
p_angle_deg
p_hb_or_metal_coord
p_plane_restr
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor