5FFQ

ChuY: An Anaerobillin Reductase from Escherichia coli O157:H7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	80
Detector technology	CCD
Collection date	2014-06-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	50.486, 63.201, 66.535
Unit cell angles	90.00, 106.67, 90.00

Refinement procedure

Resolution	38.400 - 2.000
R-factor	0.1806
Rwork	0.178
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qvo
RMSD bond length	0.008
RMSD bond angle	0.999
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX (1.8.4_1496)
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.400
High resolution limit [Å]	2.000
Number of reflections	27184
<I/σ(I)>	2.82
Completeness [%]	99.7	97
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	0.1 M Bis Tris pH 5.6, 0.2 M Lithium Sulfate, 18% PEG 3350, 10% 1,4 Butanediol