4O6R

Crystal Structure of a Putative Aldehyde Dehydrogenase from Burkholderia cenocepacia

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	112.130, 125.610, 150.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.860 - 1.900
R-factor	0.15218
Rwork	0.151
R-free	0.18209
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4go4
RMSD bond length	0.011
RMSD bond angle	1.441
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.107	0.024	0.480
Number of reflections	167523
<I/σ(I)>	15.56	39.77	4.39
Completeness [%]	99.9	98.6	99.8
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5		Morpheus(c3): glycerol, peg4000, sodium nitrate, sodium phosphate, ammonium sulfate, imidazole, MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP