ISDA: 10CX

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	8.5	303	The best diffracting crystals were grown by vapor diffusion equilibrated with 100 mM Tris-bicine, pH 8.5, 10% (w/v) PEG 20,000, 20% (v/v) PEG MME 550, 30 mM sodium nitrate, 30 mM disodium hydrogen phosphate, 30 mM ammonium sulfate. Crystals were sufficiently cryo-protected by the crystallization solution containing 20% (v/v) PEG MME 550 without further supplementation prior to flash freezing with liquid nitrogen.

Unit Cell:

a: 36.228 Å b: 53.898 Å c: 42.213 Å α: 90.000° β: 105.690° γ: 90.000°

Symmetry:

Space Group: P 1 21 1

Crystal Properties:

Matthew's Coefficient: 2.00 Solvent Content: 38.42

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	0.90	34.88	97748	4987	83.78	0.1362	0.1572	14.21

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
0.897	40.64	83.8	0.059	?	13.8	5.3	?	97752	?	?	8.66

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	0.897	0.953	25.3	?	?	1.6	1.6	?

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-D	0.77484	APS	21-ID-D

Software