5EUY

Thermostable aldehyde dehydrogenase from Pyrobaculum sp.1860 complexed with NADP+

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
Wavelength(s)	0.972420
Spacegroup name	P 21 21 2
Unit cell lengths	184.770, 208.050, 165.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.057 - 2.060
R-factor	0.1959
Rwork	0.196
R-free	0.23250
Starting model (for MR)	4h73
RMSD bond length	0.008
RMSD bond angle	1.058
Data reduction software	XDS
Data scaling software	XDS
Phasing software	BALBES
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.057	2.120
High resolution limit [Å]	2.060	2.060
Rmerge	0.101	0.770
Number of reflections	387726
<I/σ(I)>	8.3	1.6
Completeness [%]	99.3
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M Imidazole ph 6.5, 1.0 M sodium acetate trihydrate