ISDA: 13EW

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	8.5	293	0.2 M Ammonium acetate, 0.1 M Tris pH 8.5, 45% v/v (+/-)-2-Methyl-2,4-pentanediol

Unit Cell:

a: 204.774 Å b: 204.774 Å c: 99.233 Å α: 90.000° β: 90.000° γ: 120.000°

Symmetry:

Space Group: P 62 2 2

Crystal Properties:

Matthew's Coefficient: 6.07 Solvent Content: 79.75

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	THROUGHOUT	4.083	49.234	7805	523	76.602	?	0.2200	270.376

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
4.083	49.617	93.3	0.118	?	11.2	21.1	?	7818	?	6	163.9

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	10.980	49.617	100.0	?	?	44.4	18.1	?

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	1.033167	APS	23-ID-B

Software