ISDA: 36LM

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	7.0	291	10% w/v Polyethylene glycol 6,000, 50 mM HEPES pH 7.0, 200 mM Ammonium acetate, 150 mM Magnesium acetate

Unit Cell:

a: 49.819 Å b: 49.819 Å c: 81.324 Å α: 90.000° β: 90.000° γ: 120.000°

Symmetry:

Space Group: P 3 2 1

Crystal Properties:

Matthew's Coefficient: 3.23 Solvent Content: 61.89

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	1.42	19.06	14924	1484	65.65	0.2243	0.2387	21.09

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
1.42	19.06	88.6	?	?	5.4	6.3	?	14931	?	?	15.59

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	1.42	1.62	?	?	?	?	?	?

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 23-ID-B	1.0332	APS	23-ID-B

Software