ISDA: 9SDD

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	6.5	294.15	20% PEG 5000 methyl ether, 0.1M ammonium sulfate, 0.1M MES pH 6.5

Unit Cell:

a: 117.968 Å b: 79.108 Å c: 119.447 Å α: 90.000° β: 101.087° γ: 90.000°

Symmetry:

Space Group: I 1 2 1

Crystal Properties:

Matthew's Coefficient: 2.35 Solvent Content: 47.65

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	2.20	35.03	54544	2608	99.34	0.1868	0.2302	56.75

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
2.2	46.18	99.4	0.017	?	17.2	2.0	?	54632	?	?	42.910

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	2.20	2.26	94.4	?	?	3.8	2.0	?

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	ALBA BEAMLINE XALOC	0.97926	ALBA	XALOC

Software