ISDA: 9V7R

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	293	0.1 M HEPES (pH 7.0), 1 M ammonium sulfate and 1 M potassium chloride

Unit Cell:

a: 43.129 Å b: 43.156 Å c: 91.465 Å α: 80.769° β: 87.931° γ: 83.345°

Symmetry:

Space Group: P 1

Crystal Properties:

Matthew's Coefficient: 1.94 Solvent Content: 36.46

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	2.45004339752	19.8195282064	23237	1176	97.8358805945	0.183306733218	0.238488892933	34.2856774551

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
2.45	19.82	97.7	0.076	?	13.0	3.5	?	23244	?	?	29.3501399492

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	2.45	2.55	97.7	?	?	3.5	3.3	?

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	SSRF BEAMLINE BL19U1	0.97917	SSRF	BL19U1

Software