5J6B

Crystal structure of Aldehyde dehydrogenase from Burkholderia thailandensis in covelent complex with NADPH

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	2015-02-17
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	83.520, 143.660, 167.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.400 - 1.950
R-factor	0.149
Rwork	0.149
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pqa
RMSD bond length	0.007
RMSD bond angle	0.850
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((DEV_2356: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.093	0.513
Number of reflections	146312
<I/σ(I)>	14.3	3.55
Completeness [%]	99.6	99.1
Redundancy	6.2	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290	RigakuReagents JCSG+ screen H5: 45% MPD, 200mM Ammonium acetate, 100mM BisTris/HCl pH 5.5; ButhA.00020.t.B1.PW37792 at 22.7 mg/ml + 3mM NADP; cryo: direct; tray: 26729h5, puck sja1-10