8IJG

Crystal structure of alcohol dehydrogenase M5 from Burkholderia gladioli with NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.988
Spacegroup name	C 2 2 21
Unit cell lengths	107.127, 111.050, 229.917
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.550 - 2.270
R-factor	0.2219
Rwork	0.220
R-free	0.25360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.009
RMSD bond angle	1.284
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.000	2.390
High resolution limit [Å]	2.270	2.270
Number of reflections	63273	9070
<I/σ(I)>	18.6	2.8
Completeness [%]	99.5	99.2
Redundancy	13.9
CC(1/2)	0.999	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M MES, pH6.5, 12% PEG 500 MME, 6% PEG 20000