5VM2

Crystal structure of ECK1772, an oxidoreductase/dehydrogenase of unknown specificity involved in membrane biogenesis from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-04
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97860
Spacegroup name	P 2 21 21
Unit cell lengths	63.994, 70.888, 149.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.312 - 1.983
R-factor	0.1832
Rwork	0.181
R-free	0.22450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e3j
RMSD bond length	0.005
RMSD bond angle	0.927
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (dev_2733)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.010
High resolution limit [Å]	1.980	1.980
Rmerge	0.106	0.582
Rpim	0.045	0.293
Number of reflections	47841	2349
<I/σ(I)>	22.7	2
Completeness [%]	99.7	99.4
Redundancy	6.3	4.7
CC(1/2)		0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	0.2 M sodium chloride, 0.1 M sodium citrate pH 5.6, 1 mM magnesium chloride, 25% (w/v) PEG3350