Experiment: 1G31

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1				PROTEIN WAS CRYSTALLIZED AT 17 MG/ML FROM 0.42 M NAH(2)PO(4), 1.70 M K(2)HPO(4), 10 MM BES, 6 MM DTT, 0.035% NAN(3), 29% ETHYLENE GLYCOL.

Crystal Properties
Matthews coefficient	Solvent content
3.34	65

Symmetry
Space Group	P 42 21 2

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	BENT FOCUSING MIRRORS	1997-01-19	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 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	2.3	20	83.5	0.108	10.6	5.95		42831		1	25.2

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)
	2.3	2.4	65		0.39	1.9

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	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	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	ESCHERICHIA COLI GROES 2.8 ANGSTROM MODEL	2.3	20	1	42831	4277	83.5	0.225	0.225	0.254	SHELLS	61.6

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]
-3.22			-3.22		6.44

RMS Deviations
Key	Refinement Restraint Deviation
x_dihedral_angle_d	25.8
x_scangle_it	11.74
x_scbond_it	7.92
x_mcangle_it	7.13
x_mcbond_it	4.75
x_angle_deg	1.6
x_improper_angle_d	1.46
x_bond_d	0.012
x_bond_d_na
x_bond_d_prot

RMS Deviations
Key	Refinement Restraint Deviation
x_dihedral_angle_d	25.8
x_scangle_it	11.74
x_scbond_it	7.92
x_mcangle_it	7.13
x_mcbond_it	4.75
x_angle_deg	1.6
x_improper_angle_d	1.46
x_bond_d	0.012
x_bond_d_na
x_bond_d_prot
x_angle_d
x_angle_d_na
x_angle_d_prot
x_angle_deg_na
x_angle_deg_prot
x_dihedral_angle_d_na
x_dihedral_angle_d_prot
x_improper_angle_d_na
x_improper_angle_d_prot