ISDA: 6I8G

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	277.15	Reservoir composition: 17.5 % (w/v) PEG3350, 0.2 M sodium citrate, 0.1 M Bis-Tris buffer, pH 8.5; Protein stock solution: 2.8 mg/ml protein in 50 mM sodium chloride, 1 % (v/v) glycerole, 1mM DTT, 50 mM HEPES, pH 8.0; drop composition: 1 mikroliter protein stock solution + 1 mikroliter reservoir solution; crystals were cryoprotected in 17.5 % (w/v) PEG3350, 20 % (v/v) ethylene glycol, 0.2 M sodium citrate, 0.1 M Bis-Tris buffer, pH 8.5.

Unit Cell:

a: 177.504 Å b: 68.232 Å c: 105.273 Å α: 90.00° β: 123.44° γ: 90.00°

Symmetry:

Space Group: C 1 2 1

Crystal Properties:

Matthew's Coefficient: 3.13 Solvent Content: 60.70

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	2.344	52.57	31537	1295	71.1	0.195	0.222	?

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
2.344	83.773	71.1	0.11700	0.11700	8.0000	3.600	?	31550	?	?	?

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	2.344	2.565	15.1	?	0.87000	1.500	3.70	?

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 MASSIF-3	0.967700	ESRF	MASSIF-3

Software