ISDA: 9PXQ

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	8.5	295	190 mM magnesium chloride, 100 mM Tris-HCl (pH 8.5), 21% (w/v) PEG8000, or 200 mM magnesium formate, 100 mM Tris-HCl (pH 8.5), 20% PEG3350

Unit Cell:

a: 46.680 Å b: 61.530 Å c: 87.950 Å α: 94.010° β: 100.940° γ: 115.360°

Symmetry:

Space Group: P 1

Crystal Properties:

Matthew's Coefficient: 2.19 Solvent Content: 43.82

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	1.46	40.98	142324	1999	95.98	0.1710	0.1967	15.73

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
1.46	40.98	95.98	0.6437	?	8.59	5.63	?	142671	?	?	13.59

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	1.461	1.513	92.15	?	?	0.78	?	?

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-2	0.9793	NSLS-II	17-ID-2

Software