Experiment: 2CKB

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		7.2		PROTEIN WAS CRYSTALLIZED FROM 0.2 M TRIS ACETATE PH 7.2 0.1 M SODIUM CHLORIDE 12 % PEG 4000 AND TRANSFERRED IN ETHYLENE GLYCOL CONTAINING PRECIPITANT SOLUTION, FROM 4% TO 22%, BEFORE DATA COLLECTION.

Crystal Properties
Matthews coefficient	Solvent content
3.11	60

Symmetry
Space Group	P 21 21 2

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	103	IMAGE PLATE	MARRESEARCH	MIRRORS	1997-04-26	M

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	SSRL BEAMLINE BL7-1		SSRL	BL7-1

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	3	25	83.3	0.088	9.2	6.9		314268

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)
	3	3.12	70.1		0.328	2.1

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	MOLECULAR REPLACEMENT	THROUGHOUT	PDB ENTRIES 1TCR, 1VAC	3	25	34092	1435	78.7	0.221	0.221	0.322	SPHERES	43.2

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]
14.6			-11		14.9

RMS Deviations
Key	Refinement Restraint Deviation
x_dihedral_angle_d	28.8
x_scangle_it	20.6
x_scbond_it	15.6
x_mcangle_it	14.7
x_mcbond_it	9.94
x_angle_deg	1.56
x_improper_angle_d	0.78
x_bond_d	0.01
x_bond_d_na
x_bond_d_prot

RMS Deviations
Key	Refinement Restraint Deviation
x_dihedral_angle_d	28.8
x_scangle_it	20.6
x_scbond_it	15.6
x_mcangle_it	14.7
x_mcbond_it	9.94
x_angle_deg	1.56
x_improper_angle_d	0.78
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