1AJ0

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		8.4		PROTEIN WAS CRYSTALLIZED FROM 42% AMMONIUM SULFATE, 50MM TRIS-HCL, PH 8.4.

Crystal Properties
Matthews coefficient	Solvent content
2.5	50.76

Symmetry
Space Group	C 1 21 1

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	289	AREA DETECTOR	SIEMENS		1993-07-09	M

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	ROTATING ANODE	RIGAKU RUH2R

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Sym 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	20	99.2	0.054				23202		2

Statistics
Diffraction ID	Structure Solution Method	Resolution (High)	Resolution (Low)	Cut-off Sigma (F)	Number Reflections (All)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Work	R-Free	Mean Isotropic B
X-RAY DIFFRACTION		2	10	2	23206	18585		80	0.206

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_transverse_tor	24.3
p_staggered_tor	17.9
p_planar_tor	1.8
p_xyhbond_nbd	0.23
p_multtor_nbd	0.223
p_singtor_nbd	0.179
p_chiral_restr	0.101
p_planar_d	0.038
p_angle_d	0.032
p_bond_d	0.01

RMS Deviations
Key	Refinement Restraint Deviation
p_transverse_tor	24.3
p_staggered_tor	17.9
p_planar_tor	1.8
p_xyhbond_nbd	0.23
p_multtor_nbd	0.223
p_singtor_nbd	0.179
p_chiral_restr	0.101
p_planar_d	0.038
p_angle_d	0.032
p_bond_d	0.01
p_angle_deg
p_hb_or_metal_coord
p_mcbond_it
p_mcangle_it
p_scbond_it
p_scangle_it
p_plane_restr
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor