ISDA: 12JS

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	293	0.125 M CaCl2, 0.02 M TRIS pH 7.4, 30% PEG 3K, 30% PEG 400 Cryoprotectant

Unit Cell:

a: 54.645 Å b: 54.645 Å c: 80.668 Å α: 90° β: 90° γ: 90°

Symmetry:

Space Group: P 42 21 2

Crystal Properties:

Matthew's Coefficient: 2.01 Solvent Content: 38.77

Refinement Statistics

Diffraction ID	Structure Solution Method	Cross Validation Method	Resolution Limit (High)	Resolution Limit (Low)	Number of Reflections (Observed)	Number of Reflections (R-free)	Percent Reflections (Observed)	R-Work	R-Free	Mean Isotropic
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	FREE R-VALUE	2.900	45.242	2796	276	92.952	?	0.2775	52.807

Data Collection

Overall

Resolution Limit (High)	Resolution Limit (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
2.19	54.65	94.4	?	?	3.3	12.1	?	6350	?	?	?

Highest Resolution Shell

#	Resolution Limits (Low)	Resolution Limits (High)	Percent Possible (All)	Percent Possible (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	2.19	2.26	82.3	?	?	0.4	10.1	?

Diffraction

Diffraction experiment

Crystal ID	Scattering Type	Data Collection Temprature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1		100 K			?

Radiation Source

Source	Type	Wavelength List	Synchrotron Site	Beamline
SYNCHROTRON	SSRL BEAMLINE BL12-1	0.97946	SSRL	BL12-1

Software