ISDA: 12LC

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	8.5	293	200mM lithium sulfate, 100mM TRIS, 30% PEG 4000, 5mM magnesium chloride

Unit Cell:

a: 94.340 Å b: 94.340 Å c: 119.531 Å α: 90.00° β: 90.00° γ: 120.00°

Symmetry:

Space Group: H 3 2

Crystal Properties:

Matthew's Coefficient: 2.43 Solvent Content: 49.44

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	THROUGHOUT	1.90	29.90	15557	766	99.86	0.21735	0.26416	30.294

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
1.90	50.0	99.8	0.097	?	14.59	6.85	?	31218	?	?	?

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	1.90	2.02	99.1	?	?	0.91	6.53	?

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	CLSI BEAMLINE 08B1-1	1.1807	CLSI	08B1-1

Software