Experiment: 1AKZ

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		7.9		100 MM IMIDAZOLE/MALEATE, PH 7.9, 1%-4% SATURATED NACL, 1%-4% SATURATED AMMONIUM SULFATE, 16%-20% PEG 4000, MIXED WITH EQUAL VOLUMES 30 MG/ML PROTEIN.

Crystal Properties
Matthews coefficient	Solvent content
2.25	54

Symmetry
Space Group	P 21 21 21

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	275				1995-02-16	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 Merge 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	1.57	50	94.5	0.046	14.9	4		30433

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
	1.57	1.61	93.4		0.106	11

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	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	MULTIPLE ISOMORPHOUS REPLACEMENT	THROUGHOUT	1.57	20	30381	3048	94.5	0.189	0.189	0.224	RANDOM

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]
4.9022			0.7885		-5.6908

RMS Deviations
Key	Refinement Restraint Deviation
x_dihedral_angle_d	23.96
x_scangle_it	2.812
x_scbond_it	1.746
x_mcangle_it	1.649
x_angle_deg	1.154
x_mcbond_it	0.958
x_improper_angle_d	0.949
x_bond_d	0.009
x_bond_d_na
x_bond_d_prot

RMS Deviations
Key	Refinement Restraint Deviation
x_dihedral_angle_d	23.96
x_scangle_it	2.812
x_scbond_it	1.746
x_mcangle_it	1.649
x_angle_deg	1.154
x_mcbond_it	0.958
x_improper_angle_d	0.949
x_bond_d	0.009
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