ISDA: 1GA1

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	7.5	293	0.1 M sodium chloride, 5 mM calcium chloride, 1.4 M lithium sulfate, 0.1 M Tris buffer pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Unit Cell:

a: 97.190 Å b: 97.190 Å c: 83.370 Å α: 90.00° β: 90.00° γ: 120.00°

Symmetry:

Space Group: P 62

Crystal Properties:

Matthew's Coefficient: 2.92 Solvent Content: 57.88

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	SINGLE-WAVELENGTH ANOMALOUS DIFFRACTION	?	1.40	30.0	81364	8107	?	0.108	0.1358	?

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
1.4	30.0	99.9	0.036	?	50.2	7.7	87947	87947	-3.0	-3.0	12.2

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	1.40	1.45	99.5	?	?	7.0	7.7	8711

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 BEAMLINE X9B	0.92	NSLS	X9B

Software