ISDA: 31DC

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	9.0	293.15	reservoir: 0.1 M Tris-HCl pH 9.0, 0.2 M CaCl2, 26% PEG 4000, 2.5% DMSO; 200 nl protein + 100 nl reservoir

Unit Cell:

a: 61.746 Å b: 109.466 Å c: 43.438 Å α: 90.00° β: 90.00° γ: 90.00°

Symmetry:

Space Group: P 21 21 2

Crystal Properties:

Matthew's Coefficient: 2.04 Solvent Content: 39.67

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	2.30	43.44	13593	680	99.46	0.2518	0.2878	?

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
2.30	43.44	99.9	?	?	4.71	12.4	?	13669	?	?	38.72

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	2.36	99.9	?	?	0.86	13.17	?

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	ESRF BEAMLINE ID30B	0.92	ESRF	ID30B

Software