ISDA: 9WF7

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	?	293	0.1 M Tris-HCl pH 7.5, 0.2 M LiCl, 14% (w/v) PEG 6,000, 5% (v/v) glycerol, 15% (w/v) sucrose, and 25% (w/v) hexammine cobalt (III)

Unit Cell:

a: 159.881 Å b: 159.881 Å c: 159.881 Å α: 90.00° β: 90.00° γ: 90.00°

Symmetry:

Space Group: P 2 3

Crystal Properties:

Matthew's Coefficient: 3.62 Solvent Content: 65.98

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	NONE	2.501	22.840	46293	2340	98.11	0.1937	0.2350	?

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
2.50	22.84	98.9	0.136	?	5.6	3.8	?	46661	?	?	?

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	2.50	2.59	?	?	?	?	?	?

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	RIGAKU	1.54184	?	?

Software