ISDA: 24AY

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	289	0.1 M Bis-Tris propane, pH 9.0, 10% w/v Jeffamine ED-2001, pH 7.0

Unit Cell:

a: 70.146 Å b: 98.108 Å c: 116.770 Å α: 90.000° β: 90.000° γ: 90.000°

Symmetry:

Space Group: C 2 2 21

Crystal Properties:

Matthew's Coefficient: 2.72 Solvent Content: 54.78

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	2.12	58.38	22458	1995	96.59	0.1872	0.2229	33.84

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
2.12	58.38	96.7	?	?	13.4	8.3	?	22509	?	?	29.14

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	2.12	2.19	?	?	?	?	?	?

Diffraction

Diffraction experiment

Crystal ID	Scattering Type	Data Collection Temprature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1		193 K			?

Radiation Source

Source	Type	Wavelength List	Synchrotron Site	Beamline
SYNCHROTRON	NFPSS BEAMLINE BL19U1	0.9786	NFPSS	BL19U1

Software