ISDA: 6I8H

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	6.5	277.15	Reservoir composition: 12.5 % (v/v) (RS)-2-methyl-2,4-pentanediol, 12.5 % (w/v) PEG 1000, 12.5 % (w/v) PEG3350, 0.03 M magnesium chloride, 0.03 M calcium chloride, 0.0612 M MES, 0.0388 M imidazole, pH 6.5; protein stock solution: 4.1 mg/ml protein, 50 mM sodium chloride, 1 % (v/v) glycerole, 1 mM DTT, 50 mM HEPES, pH 8.0; drop composition: 150 nl protein stock solution plus 225 nl reservoir solution; cryo conditions: the crystals were flash frozen directly from the equilibrated crystallization drops.

Unit Cell:

a: 145.887 Å b: 145.887 Å c: 152.770 Å α: 90.00° β: 90.00° γ: 120.00°

Symmetry:

Space Group: P 63 2 2

Crystal Properties:

Matthew's Coefficient: 2.66 Solvent Content: 53.80

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	3.682	72.94	8238	800	75.5	0.246	0.287	?

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
3.682	97.361	93.0	0.11100	0.11100	9.8000	6.300	?	8246	?	?	?

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	3.682	4.05	59.5	?	1.34900	1.500	7.40	?

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	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)	0.9763	PETRA III, EMBL c/o DESY	P13 (MX1)

Software