7RDU

Crystal structure of Campylobacter jejuni keto said reductoisomerase in complex with magnesium and oxidixized and reduced NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-15
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0000
Spacegroup name	I 2 3
Unit cell lengths	130.108, 130.108, 130.108
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.000 - 2.502
R-factor	0.2014
Rwork	0.195
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ypo
RMSD bond length	0.003
RMSD bond angle	0.634
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.100	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.127	0.823
Rpim	0.039	0.603
Number of reflections	12712	554
<I/σ(I)>	35.3	1.4
Completeness [%]	99.2	91.3
Redundancy	13.1	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	The buffer was 0.2 M KNO3, 20% PEG3350. The well solution (which was not added to the drop) was 35% PEG3350, 250 mM MgCl2, 20 mM Tris-HCl pH 8.0.