ISDA: 11KP

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	6.75	289	SeMet-substituted complex (17 mg/ml) was mixed 1:1 with the well solution 100 mM MES (pH 6.75), 100 mM NaCl, and 8% PEG 3350. Crystals were harvested in 20 mM Tris (pH 8.0), 100 mM MES (pH 6.5), 200 mM NaCl, 10% PEG 3350, and cryoprotected in harvesting solution with 35% ethylene glycol

Unit Cell:

a: 73.799 Å b: 39.810 Å c: 103.941 Å α: 90.000° β: 97.027° γ: 90.000°

Symmetry:

Space Group: I 1 2 1

Crystal Properties:

Matthew's Coefficient: 2.34 Solvent Content: 47.36

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	1.48	51.58	94642	4668	95.70	0.1847	0.2107	29.91

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
1.47	63.5	96.5	0.085	?	10.2	6.7	?	94669	?	?	19.50

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	1.47	1.5	?	?	?	?	?	?

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	APS BEAMLINE 21-ID-D	0.97158	APS	21-ID-D

Software