ISDA: 9WS9

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	6.4	298	18% w/v PEG 8000, 0.2M calcium acetate, 0.1M MES pH 6.4, microseeding

Unit Cell:

a: 92.950 Å b: 92.950 Å c: 121.820 Å α: 90.000° β: 90.000° γ: 120.000°

Symmetry:

Space Group: H 3 2

Crystal Properties:

Matthew's Coefficient: 2.63 Solvent Content: 53.15

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	2.15	40.61	11229	579	100.00	0.1803	0.2072	45.56

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
2.15	40.65	100	?	?	9.24	589.0	?	11230	?	?	42.09

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	2.15	2.18	100	?	?	0.92	80.70	?

Diffraction

Diffraction experiment

Crystal ID	Scattering Type	Data Collection Temprature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1		293 K			?

Radiation Source

Source	Type	Wavelength List	Synchrotron Site	Beamline
FREE ELECTRON LASER	SACLA BEAMLINE BL2	1.7711	SACLA	BL2

Software