5U0M

Fatty aldehyde dehydrogenase from Marinobacter aquaeolei VT8 and cofactor complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-10
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	99.347, 99.347, 254.425
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.794 - 3.075
R-factor	0.2218
Rwork	0.219
R-free	0.27310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ju8
RMSD bond length	0.003
RMSD bond angle	0.682
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_2706)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.573	3.300
High resolution limit [Å]	3.080	3.090
Rmerge	0.528	3.730
Number of reflections	23394
<I/σ(I)>	7.1	0.8
Completeness [%]	98.8	93.3
Redundancy	14.2	13.4
CC(1/2)	0.991	0.534

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M ammonium citrate, 20% w/v PEG2000 MME, 0.1M Imidazole, pH 7.0