ISDA: 3D3F

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	7.5	289	0.4M SODIUM NITRATE, 40% PEG3350, pH 7.5, Vapor diffusion, temperature 289K

Unit Cell:

a: 80.517 Å b: 123.285 Å c: 57.226 Å α: 90.00° β: 90.00° γ: 90.00°

Symmetry:

Space Group: P 21 21 2

Crystal Properties:

Matthew's Coefficient: 2.25 Solvent Content: 45.30

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	2.400	20.000	20421	1065	93.750	0.24007	0.30615	9.578

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
2.3	67.4	89	0.10	0.11	5.26	14	26027	23334	?	?	22.3

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	2.30	2.47	89	?	0.11	5.26	14.8	23334

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
ROTATING ANODE	BRUKER AXS MICROSTAR	1.5418	?	?

Software