ISDA: 6EFW

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	6.1	285	Optimization screen based on RigakuReagents JCSG+ screen, condition A3: 40% PEG 200, 100mM KH2PO4/Na2HPO4 pH 6.1, 200mM NaCl; CrneC.19313.a.B1.PS38377 at 15mg/ml; cryo: direct; tray 302563a3, puck VLL3-1

Unit Cell:

a: 85.420 Å b: 85.420 Å c: 187.080 Å α: 90.000° β: 90.000° γ: 90.000°

Symmetry:

Space Group: I 4 2 2

Crystal Properties:

Matthew's Coefficient: 2.23 Solvent Content: 44.9

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	THROUGHOUT	1.9000	36.9800	27700	2015	99.8300	0.1661	0.2047	31.2387

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
1.900	36.980	99.800	0.060	?	26.390	11.693	?	27708	?	?	33.281

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	1.900	1.950	98.500	?	?	4.290	8.884	?

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	APS BEAMLINE 21-ID-F	0.97872	APS	21-ID-F

Software