ISDA: 5LB8

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	7.0	293	17.5% Peg 3350, 0.2M Potassium Thiocyanate, 0.1M Hepes pH 7.0, 10% ethelene glycol

Unit Cell:

a: 68.740 Å b: 68.740 Å c: 396.307 Å α: 90.00° β: 90.00° γ: 90.00°

Symmetry:

Space Group: P 43 21 2

Crystal Properties:

Matthew's Coefficient: 2.02 Solvent Content: 39.26

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	3.40	48.61	14056	684	99.79	0.3025	0.3218	145.41

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
3.40	48.61	99.9	0.117	?	13.7	8.2	?	14135	?	?	120

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	3.40	3.67	99.8	?	?	2.1	7.5	?

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	DIAMOND BEAMLINE I04	0.979490	Diamond	I04

Software