ISDA: 9QU5

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	6	298.15	14% PEG 8000, MES pH 6.0 0.05M, Sodium malonate 0.2M

Unit Cell:

a: 211.898 Å b: 211.898 Å c: 72.410 Å α: 90.000° β: 90.000° γ: 90.000°

Symmetry:

Space Group: I 41

Crystal Properties:

Matthew's Coefficient: 2.79 Solvent Content: 60.08

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	AB INITIO PHASING	FREE R-VALUE	1.96331435854	67.009	220603	3906	98.0823952053	0.194359927048	0.226674149997	58.5945902333

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
1.96	67.009	98.3	?	?	9.26	6.84	?	221105	?	?	46.3123282668

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	1.963	2.033	?	?	?	?	?	?

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	SLS BEAMLINE X06DA	1.000030	SLS	X06DA

Software