ISDA: 11MQ

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	7.5	293	0.2M Lithium sulfate, 0.5M Zinc acetate dihydrate, 0.1M BisTris pH 7.5, 22.5% (v/v) PEG Smear Broad. PEG Smear Broad contains: PEG1000, PEG10000, PEG2000, PEG3350, PEG400, PEG4000, PEG600, PEG6000, PEG8000, PEG methyl ether 500, PEG methyl ether 5000.

Unit Cell:

a: 32.294 Å b: 56.626 Å c: 67.494 Å α: 90.000° β: 90.000° γ: 90.000°

Symmetry:

Space Group: P 21 21 21

Crystal Properties:

Matthew's Coefficient: 2.03 Solvent Content: 37.74

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	2.38	43.38	5320	517	99.92	0.2384	0.2864	36.06

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
2.37	67.49	100	0.588	?	6.0	11.9	?	5424	?	?	30.91

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	2.37	2.46	100	?	?	1.9	11.2	?

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 24-ID-E	0.97905	APS	24-ID-E

Software