ISDA: 9I7Q

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	293	12% PEG4000, 5% PEG 1,000, 0.075M Na citrate pH=5.8, 0.075M Ammonium sulfate, 0.025M Li sulfate monohydrate, 0.025M Na citrate tribasic dihydrate pH=5.5, 15% Glycerol

Unit Cell:

a: 122.009 Å b: 122.009 Å c: 69.990 Å α: 90.000° β: 90.000° γ: 120.000°

Symmetry:

Space Group: P 61 2 2

Crystal Properties:

Matthew's Coefficient: 4.39 Solvent Content: 71.98

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	2.90	45.99	7189	360	99.86	0.2465	0.2646	85.67

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
2.90	60.82	100	?	?	24.9	37.6	?	7189	?	?	54.82

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	2.9	8.7	100	?	?	1.9	40.0	?

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	APS BEAMLINE 22-ID	1.0	APS	22-ID

Software