ISDA: 9S56

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	8.5	293	0.3% Sodium-L ascorbate, 0.3% Choline Chloride, 0.3% D-Panthenol, 0.3% Pyridoxine hydrochloride, 0.3% Thiamine hydrochloride, 0.3% CHAPS, 0.3% CHAPSO, 0.3% Sodium glycocholate hydrate, 0.3% Taurocholic acid sodium salt hydrate, 100 mM Tris/Bicine, 10% PEG 20,000, 20% PEG 500 MME

Unit Cell:

a: 45.762 Å b: 68.292 Å c: 119.041 Å α: 90.000° β: 90.000° γ: 90.000°

Symmetry:

Space Group: P 21 21 21

Crystal Properties:

Matthew's Coefficient: 2.42 Solvent Content: 49.24

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	1.668	59.521	30060	1480	67.869	?	0.2403	21.213

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
1.667	59.521	67.8	0.320	?	9.0	37.1	?	30060	?	?	?

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	1.667	1.864	12.2	?	?	1.7	33.2	?

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	DIAMOND BEAMLINE I03	0.9762	Diamond	I03

Software