ISDA: 27JX

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	298	0.1M sodium chloride, 0.1M HEPES pH 7.5, 1.2M ammonium sulfate

Unit Cell:

a: 72.688 Å b: 93.898 Å c: 113.048 Å α: 90.0° β: 90.0° γ: 90.0°

Symmetry:

Space Group: P 21 2 21

Crystal Properties:

Matthew's Coefficient: 2.99 Solvent Content: 58.93

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	NONE	1.96001018958	48.426740445	55791	1778	99.1857633025	0.170580450222	0.207883312768	26.3548712098

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
1.88	72.23	99.2	0.131	?	10.5	8.7	?	55791	?	?	?

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	1.88	1.99	?	?	?	?	?	?

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	CAMD BEAMLINE GCPCC	0.9786	CAMD	GCPCC

Software