2Y53

Crystal structure of E257Q 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	58.240, 67.810, 77.510
Unit cell angles	111.22, 90.45, 113.51

Refinement procedure

Resolution	23.370 - 1.400
R-factor	0.15768
Rwork	0.156
R-free	0.18545
Structure solution method	OTHER
RMSD bond length	0.030
RMSD bond angle	2.615
Data scaling software	CCP4
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall
Low resolution limit [Å]	23.440
High resolution limit [Å]	1.400
Rmerge	0.060
Number of reflections	187905
<I/σ(I)>	14.7
Completeness [%]	95.6
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1