ISDA: 9VKM

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	4.0	289.15	MicC: 10.2 mg/ml in 0.15 M NaCl, 0.02 M Tris, pH 8.0 Precipitant: 19% PEG3350, 200 mM sodium citrate tribasic, 100 mM sodium citrate/citric acid, pH 4.0

Unit Cell:

a: 61.319 Å b: 131.163 Å c: 132.248 Å α: 90.000° β: 90.000° γ: 90.000°

Symmetry:

Space Group: P 2 21 21

Crystal Properties:

Matthew's Coefficient: 3.95 Solvent Content: 68.87

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	2.20	93.13	54275	2758	98.72	0.1680	0.2014	44.16

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
2.11	93.13	96.5	0.072	?	18.9	7.7	?	59626	?	?	?

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	2.11	2.23	?	?	?	2.5	?	?

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	NFPSS BEAMLINE BL18U	0.97853	NFPSS	BL18U

Software