ISDA: 28MY

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	298	23 % (V/V) PEG 3350 0.1 M BisTris Propane pH 7.0 0.2 M Na.Citrate

Unit Cell:

a: 147.648 Å b: 147.648 Å c: 124.901 Å α: 90.000° β: 90.000° γ: 90.000°

Symmetry:

Space Group: P 43 21 2

Crystal Properties:

Matthew's Coefficient: 3.27 Solvent Content: 62.42

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	FREE R-VALUE	2.48	104.40	25753	1323	51.86	0.1985	0.2315	47.40

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
2.48	104.40	85.8	0.257	?	9.1	12.9	?	25782	?	?	45.56

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	2.48	3.01	48.3	?	?	1.4	6.3	?

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	BESSY BEAMLINE 14.1	0.9184	BESSY	14.1

Software