ISDA: 10DA

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	8.5	303	Crystals were grown by vapor diffusion in 100 mM Tris-bicine, pH 8.5, 12.5% (w/v) PEG 1000, 12.5% (w/v) PEG 3350, 12.5% (v/v) MPD, 30 mM MgCl2, 30 mM CaCl2 at 303 K. Crystals were cryo-protected in 100 mM Tris-bicine, pH 8.5, 12.5% (w/v) PEG 1000, 12.5% (w/v) PEG 3350, 22.5% (v/v) MPD, 30 mM MgCl2, 30 mM CaCl2 and flash frozen with liquid nitrogen.

Unit Cell:

a: 38.852 Å b: 60.000 Å c: 60.710 Å α: 87.134° β: 75.531° γ: 84.241°

Symmetry:

Space Group: P 1

Crystal Properties:

Matthew's Coefficient: 2.07 Solvent Content: 40.60

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	0.998	19.89	203839	9969	70.984	?	0.1510	11.334

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
0.998	19.89	70.9	0.045	?	14.3	3.9	?	203846	?	?	?

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	0.998	1.07	17.6	?	?	1.3	3.8	?

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	APS BEAMLINE 21-ID-G	0.97856	APS	21-ID-G

Software