ISDA: 3JTD

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	8.3	277	100 mM bicine pH 8.3, 45 mM ammonium sulfate, 5 mM magnesium chloride, 2.5 mM EGTA, 3.0 mM sodium azide, 15% (wt/vol) PEG 4000, 4% (vol/vol) PEG 200, 6% (wt/vol) 2,3-butanediol, Hanging drop vapor diffusion, temperature 277K, VAPOR DIFFUSION, HANGING DROP

Unit Cell:

a: 42.000 Å b: 52.780 Å c: 58.510 Å α: 113.36° β: 91.56° γ: 100.60°

Symmetry:

Space Group: P 1

Crystal Properties:

Matthew's Coefficient: 2.70 Solvent Content: 54.42

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	THROUGHOUT	2.570	34.890	12934	640	90.500	0.2329	0.248	48.652

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
2.57	37.0	90.5	?	0.064	12.298	2.45	15190	13187	1.0	1.0	42.0

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

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	CHESS BEAMLINE A1	0.908	CHESS	A1

Software