ISDA: 9RJD

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	293	5:1:5 Precipitant: 0.1 M CaCl2, 0.1 M MgCl2, 0.1 M PIPES pH 7.0, 5.625% PEG 3350, 5.625% PEG 4000, 5.625% PEG 2000, 5.625% PEG 5000 MME Seeding stock 0.1 M HEPES pH 7.4, 0.1 M MgCl2, 0.1 M NaCl, 25% (w/v) PEG 3350 Protein in buffer: 25 mM Tris-HCl, 140 mM NaCl, 100 mM KCl, 3% glycerol, pH 8 cryoprotection: 25% glycerol in precipitant

Unit Cell:

a: 48.739 Å b: 50.366 Å c: 62.175 Å α: 88.49° β: 89.97° γ: 79.72°

Symmetry:

Space Group: P 1

Crystal Properties:

Matthew's Coefficient: 2.14 Solvent Content: 42.53

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	1.51	32.19	83005	4119	89.97	0.1575	0.1841	?

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
1.51	49.54	90	0.058	?	14.1	3.7	?	83014	?	?	?

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	1.51	1.53	56.8	?	?	2.4	3.5	?

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	BESSY BEAMLINE 14.1	0.9184	BESSY	14.1

Software