ISDA: 9SME

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	5.7	293	9 % PEG 6.000, 0.1 M BisTris pH 5.7, 10 mM JMS 04-14

Unit Cell:

a: 94.384 Å b: 235.392 Å c: 53.798 Å α: 90.00° β: 90.00° γ: 90.00°

Symmetry:

Space Group: P 21 21 2

Crystal Properties:

Matthew's Coefficient: 2.62 Solvent Content: 53.05

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	FOURIER SYNTHESIS	THROUGHOUT	2.550	87.60	39944	1939	99.6	0.2562	0.2878	83.47

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
2.55	94.38	99.8	0.105	?	7.5	8.0	?	40069	?	?	71.56

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	2.55	2.65	?	99.6	?	?	8.3	?

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 P14 (MX2)	0.97932	PETRA III, EMBL c/o DESY	P14 (MX2)

Software