1VSD

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		7.5		pH 7.5 THE PROTEIN WAS CRYSTALLIZED FROM 20% PEG 4000, 10% ISOPROPANOL, 100 MILLI-MOLAR HEPES PH 7.5. CRYSTALS WERE THEN SOAKED IN 500 MILLI-MOLAR MGCL2.

Crystal Properties
Matthews coefficient	Solvent content
2.66	53.78

Symmetry
Space Group	P 43 21 2

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	295	IMAGE PLATE	MAR scanner 300 mm plate		1995-05-30	M

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

Statistics
Diffraction ID	Structure Solution Method	Resolution (High)	Resolution (Low)	Cut-off Sigma (F)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (Observed)	R-Work	R-Free	Mean Isotropic B
X-RAY DIFFRACTION		1.7	8	2	16330		91.6	0.15		0.191	27.46

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]

RMS Deviations
Key	Refinement Restraint Deviation
p_orthonormal_tor	37.4
p_staggered_tor	15.6
p_scangle_it	7.771
p_scbond_it	5.046
p_mcangle_it	3.657
p_planar_tor	3
p_mcbond_it	2.238
p_xhyhbond_nbd	0.248
p_singtor_nbd	0.191
p_multtor_nbd	0.167

RMS Deviations
Key	Refinement Restraint Deviation
p_orthonormal_tor	37.4
p_staggered_tor	15.6
p_scangle_it	7.771
p_scbond_it	5.046
p_mcangle_it	3.657
p_planar_tor	3
p_mcbond_it	2.238
p_xhyhbond_nbd	0.248
p_singtor_nbd	0.191
p_multtor_nbd	0.167
p_chiral_restr	0.136
p_angle_d	0.037
p_planar_d	0.037
p_plane_restr	0.015
p_bond_d	0.013
p_angle_deg
p_hb_or_metal_coord
p_xyhbond_nbd
p_transverse_tor
p_special_tor