ISDA: 9WVG

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	7.5	298	Protein buffer: 50 mM HEPES-Na, pH 7.5, 100 mM NaCl, 5% (v/v) glycerol. Crystallization solution: 200 mM sodium citrate tribasic dihydrate, 100 mM HEPES-Na, pH 7.5, 30% (v/v) (+/-)-2-methyl-2,4-pentanediol (MPD). Protein and crystallization solution were mixed 1:1 (microbatch under 1:1 paraffin oil to silicon oil).

Unit Cell:

a: 117.43 Å b: 118.5 Å c: 80.24 Å α: 90° β: 90° γ: 90°

Symmetry:

Space Group: C 2 2 21

Crystal Properties:

Matthew's Coefficient: 2.77 Solvent Content: 55.68

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	2.262	41.706	25490	1234	96.134	?	0.2760	47.612

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
2.26	57.83	98.7	0.079	?	5.7	2.83	?	25498	?	?	37.3

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	2.26	2.35	97	?	?	2.5	2.75	?

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
ROTATING ANODE	BRUKER AXS MICROSTAR	1.54179	?	?

Software