ISDA: 9SN7

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	277	Precipitating solution : - 25 % w/v PEG 4000 - 100 mM MES pH 6.5 - 200 mM MgCl2 Protein solution : 10mg/ml protein in 20 mM Tris pH 8.0 - 5mM DTT - 10mM L-Cystein - 2.1mM Quercetin

Unit Cell:

a: 89.639 Å b: 55.412 Å c: 54.894 Å α: 90° β: 119.812° γ: 90°

Symmetry:

Space Group: C 1 2 1

Crystal Properties:

Matthew's Coefficient: 2.43 Solvent Content: 49.38

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	1.400	47.629	43948	2267	95.500	?	0.1724	22.138

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
1.40	47.63	95.5	0.027	?	22.6	3.7	?	43970	?	?	13.8

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	1.40	1.42	76.5	?	?	?	2.7	?

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	ESRF BEAMLINE BM07	0.979510	ESRF	BM07

Software