ISDA: 9YZ2

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	6.5	281	30mM Magnesium chloride hexahydrate; 30mM Calcium chloride dihydrate, 100mM Imidazole/ MES monohydrate (acid), 20% v/v PEG 500* MME; 10% w/v PEG 20000, pH 6.5

Unit Cell:

a: 50.312 Å b: 50.312 Å c: 71.020 Å α: 90.000° β: 90.000° γ: 120.000°

Symmetry:

Space Group: P 3

Crystal Properties:

Matthew's Coefficient: 1.87 Solvent Content: 34.30

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	1.82	27.53	18056	831	99.87	0.2393	0.2591	45.76

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
1.82	27.53	100.0	0.121	?	7.3	6.7	?	18080	?	?	31.87

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	1.82	1.85	100.0	?	?	1.1	?	?

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	NSLS-II BEAMLINE 17-ID-1	0.919689	NSLS-II	17-ID-1

Software