Experiment: 1AO7

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		6.5		CRYSTALLIZED FROM 10% PEG 8000, 100 MM MGACETATE, 50 MM NACACODYLATE, PH 6.5

Crystal Properties
Matthews coefficient	Solvent content
2.9	56

Symmetry
Space Group	C 1 2 1

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	CCD	ADSC QUANTUM	MIRRORS	1996-05-05	M

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	CHESS BEAMLINE A1		CHESS	A1

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	2.6	12	95	0.11	0.11	7	3.1		29279		-3.5	48.5

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	2.6	2.69	82.9		0.246	0.246	3.9	2.2

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, HEAVY ATOM DERIVATIVES, ITERATIVE REAL-SPACE AVERAGING	THROUGHOUT	PDB ENTRIES 1HHK, 1BEC CHAIN 1934.4	2.6	6	29279	3006	94.9	0.245	0.245	0.32	SHELLS	42.4

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]
-6			6		6

RMS Deviations
Key	Refinement Restraint Deviation
x_dihedral_angle_d	27.8
x_scangle_it	8.92
x_scbond_it	5.97
x_mcangle_it	5.47
x_mcbond_it	3.5
x_angle_deg	1.6
x_improper_angle_d	1.39
x_bond_d	0.007
x_bond_d_na
x_bond_d_prot

RMS Deviations
Key	Refinement Restraint Deviation
x_dihedral_angle_d	27.8
x_scangle_it	8.92
x_scbond_it	5.97
x_mcangle_it	5.47
x_mcbond_it	3.5
x_angle_deg	1.6
x_improper_angle_d	1.39
x_bond_d	0.007
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