8ZRL

Crystal structure of methanol dehydrogenase2 from Bacillus methanolicus complexed with an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979183
Spacegroup name	P 21 21 21
Unit cell lengths	83.571, 204.410, 258.145
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.510 - 2.600
R-factor	0.1956
Rwork	0.193
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.421
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.050	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.355	0.629
Rmeas	0.294
Rpim	0.147
Number of reflections	136650	6650
<I/σ(I)>	14.3
Completeness [%]	100.0
Redundancy	7.6	6.9
CC(1/2)	0.915	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Sodium formate,0.1 M Bistris propane pH6.0 15% PEG3350