ISDA: 9V6K

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	290	1.6 M ammonium sulfate, 0.1M MES pH 6.5, 10% (v/v) 1,4-Dioxane

Unit Cell:

a: 161.260 Å b: 161.260 Å c: 113.340 Å α: 90.000° β: 90.000° γ: 90.000°

Symmetry:

Space Group: P 4 21 2

Crystal Properties:

Matthew's Coefficient: 2.52 Solvent Content: 51.23

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	2.90	23.18	33585	1999	99.95	0.1730	0.2296	59.21

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
2.90	23.94	99.8	0.215	0.213	21.9	52	?	33629	?	?	58.02

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	2.90	3.04	100.0	?	0.850	8.4	52.8	?

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	0.9769	SSRF	BL19U1

Software