ISDA: 3IFD

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	8.5	293	0.1 M TRIS PH 8.5, 2.4 M K/NA PHOSPHATE, 2% PEG 400 CRYO CONDITIONS: 0.1 M TRIS PH 8.5, 2.2 M K/NA PHOSPHATE, 2% PEG 400, 17% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Unit Cell:

a: 60.710 Å b: 60.710 Å c: 45.490 Å α: 90.00° β: 90.00° γ: 120.00°

Symmetry:

Space Group: P 32 2 1

Crystal Properties:

Matthew's Coefficient: 2.78 Solvent Content: 56

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	1.90	15.0	6079	294	76.2	0.19534	0.25467	48.3

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
1.90	34.4	80.8	0.051	?	?	1.9	?	6396	?	-4.0	35.2

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	1.90	1.97	39.7	?	?	?	1.2	?

Diffraction

Diffraction experiment

Crystal ID	Scattering Type	Data Collection Temprature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1		107 K

Radiation Source

Source	Type	Wavelength List	Synchrotron Site	Beamline
ROTATING ANODE	RIGAKU MICROMAX-007 HF	1.5418	?	?

Software