Experiment: 2VZY

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		5.25		PROTEIN AT 7MG/ML IN 10 MM TEA PH 7.8, 100 MM AMMONIUM SULFATE, 3% GLYCEROL, 1 MM EDTA, 2 MM DTT CRYSTALLIZED IN 150 MM NACITRATE PH 5.25

Crystal Properties
Matthews coefficient	Solvent content
2.79	55.56

Symmetry
Space Group	P 21 21 21

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	93	IMAGE PLATE	RIGAKU IMAGE PLATE	OSMIC BLUE CONFOCAL	2003-12-20	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	ROTATING ANODE	RIGAKU RUH3R

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	2	86	95.4	0.05	22.3	5.5		69624

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	2	2.07	79.4		0.18	4.8	3.2

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	SAD	THROUGHOUT	NONE	2	86.07	66073	3524	95.5	0.166	0.164	0.205	RANDOM	19.86

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]
-0.59			1.17		-0.59

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	33.824
r_dihedral_angle_4_deg	18.233
r_dihedral_angle_3_deg	13.061
r_dihedral_angle_1_deg	5.571
r_scangle_it	3.798
r_scbond_it	2.414
r_angle_refined_deg	1.546
r_mcangle_it	1.379
r_mcbond_it	0.841
r_nbtor_refined	0.304

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	33.824
r_dihedral_angle_4_deg	18.233
r_dihedral_angle_3_deg	13.061
r_dihedral_angle_1_deg	5.571
r_scangle_it	3.798
r_scbond_it	2.414
r_angle_refined_deg	1.546
r_mcangle_it	1.379
r_mcbond_it	0.841
r_nbtor_refined	0.304
r_symmetry_vdw_refined	0.219
r_nbd_refined	0.2
r_symmetry_hbond_refined	0.145
r_xyhbond_nbd_refined	0.136
r_chiral_restr	0.105
r_bond_refined_d	0.014
r_gen_planes_refined	0.006
r_bond_other_d
r_angle_other_deg
r_gen_planes_other
r_nbd_other
r_nbtor_other
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_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