8IJ8

Crystal structure of alcohol dehydrogenase M4 mutant from Burkholderia gladioli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-01
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.987
Spacegroup name	P 4
Unit cell lengths	141.305, 141.305, 164.757
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.960 - 2.380
R-factor	0.227
Rwork	0.225
R-free	0.25760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	13.385
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.1932-4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	141.300	2.510
High resolution limit [Å]	2.380	2.380
Rmerge	0.171	1.532
Rmeas	0.177
Rpim	0.045	0.403
Total number of observations	1927359
Number of reflections	127246	18882
<I/σ(I)>	15.3
Completeness [%]	98.1
Redundancy	15.1
CC(1/2)	0.999	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	300	0.1M MES, pH 6.5, 2.0M Sodium Chloride, 0.1M Sodium dihydrogen phosphate mono, 0.1M mono-Potassium dihydrogen Phosphate