ISDA: 9RUE

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	9.5	295	0.1 M CHES pH 9.5, 0.2 M lithium sulfate, 0.3 M sodium potassium tartrate, 0.01 M DTT

Unit Cell:

a: 83.873 Å b: 83.873 Å c: 82.309 Å α: 90.00° β: 90.00° γ: 120.00°

Symmetry:

Space Group: P 31 2 1

Crystal Properties:

Matthew's Coefficient: 3.41 Solvent Content: 63.88

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	THROUGHOUT	2.088	54.46	18942	1004	93.3	0.2074	0.2444	44.12

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
1.753	72.893	80.1	0.113	?	17.4	14.5	?	353233	?	?	44.36

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	1.753	1.830	?	?	?	?	9.8	?

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	ELETTRA BEAMLINE 11.2C	1	ELETTRA	11.2C

Software