Experiment: 2ARC

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		7.25		PROTEIN WAS CRYSTALLIZED BY MICROSEEDING FROM 18-20% PEG 8000, 100 MM TRIS-HCL, PH 7.25, 40 MM MAGNESIUM ACETATE AND 0.2% (W/V) L-ARABINOSE

Crystal Properties
Matthews coefficient	Solvent content
2.28	46

Symmetry
Space Group	P 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	100	IMAGE PLATE	FUJI	SPHERICAL RH COATED MIRROR	1995-09-03	M

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	NSLS BEAMLINE X4A		NSLS	X4A

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge I (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	1.5	30	94.7	0.047	0.051	10.9	5		58716		1.5	15.9

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)
	1.5	1.57	90.2		0.292	2.5	2.9

Statistics
Diffraction ID	Structure Solution Method	Cross Validation 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	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	SINGLE ISOMORPHOUS REPLACEMENT	THROUGHOUT	1.5	12	1.5	50892	5193	86.9	0.179	0.179	0.232	RANDOM	20.2

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]
0.1722		0.2994	0.0844		-0.2566

RMS Deviations
Key	Refinement Restraint Deviation
x_dihedral_angle_d	25.4
x_scangle_it	7.12
x_scbond_it	4.99
x_mcangle_it	3.73
x_mcbond_it	2.81
x_angle_deg	1.5
x_improper_angle_d	1.483
x_bond_d	0.01
x_bond_d_na
x_bond_d_prot

RMS Deviations
Key	Refinement Restraint Deviation
x_dihedral_angle_d	25.4
x_scangle_it	7.12
x_scbond_it	4.99
x_mcangle_it	3.73
x_mcbond_it	2.81
x_angle_deg	1.5
x_improper_angle_d	1.483
x_bond_d	0.01
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