ISDA: 10PQ

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: 46.626 Å b: 59.347 Å c: 87.702 Å α: 77.220° β: 79.810° γ: 69.310°

Symmetry:

Space Group: P 1

Crystal Properties:

Matthew's Coefficient: 2.16 Solvent Content: 43.20

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	1.40	33.75	138262	1929	82.29	0.1727	0.2014	16.69

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	33.75	82.28	0.05891	?	6.98	2.3	?	159539	?	?	11.25

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	1.4	1.45	35.61	?	?	1.18	2.0	?

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	NSLS-II BEAMLINE 17-ID-2	0.9793	NSLS-II	17-ID-2

Software