ISDA: 9VUO

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	8.5	291	0.002 M Copper(II) chloride dihydrate 0.05 M TRIS hydrochloride pH 8.5 1.8 M Lithium sulfate monohydrate 0.0005 M Spermine

Unit Cell:

a: 46.630 Å b: 46.630 Å c: 94.240 Å α: 90.000° β: 90.000° γ: 120.000°

Symmetry:

Space Group: P 31 2 1

Crystal Properties:

Matthew's Coefficient: 3.38 Solvent Content: 63.63

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	FREE R-VALUE	2.19	20.90	6388	636	98.17	0.2268	0.2524	52.51

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
2.19	20.90	98.2	?	?	20.5	17.4	?	6408	?	?	53.25

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	2.19	2.25	?	?	?	?	?	?

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	SSRF BEAMLINE BL18U1	0.97853	SSRF	BL18U1

Software