ISDA: 9WE8

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	6.5	293	Morpheus D3: 0.1 M Buffer System 1 (Imidazole and MES monohydrate (acid)) pH 6.5, Precipitant Mix 3 (40% v/v Glycerol and 20% w/v PEG 4000), and 0.12 M Alcohols (0.2 M 1,6-Hexanediol; 0.2 M 1-Butanol 0.2 M 1,2-Propanediol; 0.2M 2-Propanol; 0.2 M 1,4-Butanediol; 0.2 M 1,3- Propanediol)

Unit Cell:

a: 140.940 Å b: 140.940 Å c: 275.880 Å α: 90.00° β: 90.00° γ: 120.00°

Symmetry:

Space Group: P 61 2 2

Crystal Properties:

Matthew's Coefficient: 3.18 Solvent Content: 61.36

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	2.395	46.133	64151	3206	99.82	0.1828	0.2122	?

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
2.395	141.04	99.8	?	?	17.2	40.6	?	64240	?	?	?

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	2.395	2.54	98.9	?	?	0.98	?	?

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	SOLEIL BEAMLINE PROXIMA 1	0.97857	SOLEIL	PROXIMA 1

Software