ISDA: 3FEW

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	8.5	293	0.16M MgCl2, 24% PEG 4000, 20% glycerol, 80mM Tris-HCl pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Unit Cell:

a: 240.340 Å b: 240.340 Å c: 80.030 Å α: 90.00° β: 90.00° γ: 120.00°

Symmetry:

Space Group: H 3 2

Crystal Properties:

Matthew's Coefficient: 4.05 Solvent Content: 69.60

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	MIR	THROUGHOUT	2.45	25.00	32286	1614	100.00	0.220	0.258	49.968

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
2.45	30	99.5	0.067	0.062	16.4	6.1	32353	32515	?	2	59.5

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	2.45	2.60	99.7	?	0.438	3.8	5.9	5185

Diffraction

Diffraction experiment

Crystal ID	Scattering Type	Data Collection Temprature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1		90 K

Radiation Source

Source	Type	Wavelength List	Synchrotron Site	Beamline
SYNCHROTRON	SLS BEAMLINE X10SA	0.9761	SLS	X10SA

Software