5EK6

Thermostable aldehyde dehydrogenase from Pyrobaculum sp. 1860 complexed with NADP and isobutyraldehyde

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.972420
Spacegroup name	P 21 21 2
Unit cell lengths	183.800, 207.850, 166.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.137 - 2.660
R-factor	0.1897
Rwork	0.189
R-free	0.23960
RMSD bond length	0.011
RMSD bond angle	1.197
Data reduction software	XDS
Data scaling software	XDS
Phasing software	BALBES
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall
Low resolution limit [Å]	59.140
High resolution limit [Å]	2.660
Rmerge	0.172
Number of reflections	181373
<I/σ(I)>	7.32
Completeness [%]	99.3
Redundancy	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.01 M Nickel(II) chloride hexahydrate, 0.1 M Tris pH 8.5, 1.0 M Lithium sulfate monohydrate