2Y51

Crystal structure of E167A mutant of the box pathway encoded ALDH from Burkholderia xenovorans LB400

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	57.590, 67.630, 77.270
Unit cell angles	112.48, 90.14, 111.51

Refinement procedure

Resolution	37.720 - 1.600
R-factor	0.18171
Rwork	0.179
R-free	0.23029
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.026
RMSD bond angle	2.009
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall
Low resolution limit [Å]	39.250
High resolution limit [Å]	1.600
Rmerge	0.070
Number of reflections	121799
<I/σ(I)>	12.3
Completeness [%]	93.4
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1