ISDA: 30TW

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	8	293	0.2M (NH4)2SO4, 0.1M TRIS pH 8, 30% PEG500MME, monoolein

Unit Cell:

a: 95.81 Å b: 99.323 Å c: 60.33 Å α: 90° β: 90° γ: 90°

Symmetry:

Space Group: P 21 21 2

Crystal Properties:

Matthew's Coefficient: 2.31 Solvent Content: 46.66

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	SAD	THROUGHOUT	1.696	24.82	64263	3279	99.7	0.1852	0.2044	32.3

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
1.70	99.323	99.7	?	?	15.42	13.677	?	64313	?	?	31.2

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	5.08	99.323	99.3	?	?	65.93	12.45	?

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	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)	0.9537	PETRA III, EMBL c/o DESY	P13 (MX1)

Software