9JAW

Crystal structure of NAD-dependent methanol dehydrogenases 2 from Bacillus methanolicus MGA3

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	2024-06-08
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	P 21 21 21
Unit cell lengths	83.330, 203.530, 254.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.210 - 2.800
R-factor	0.2026
Rwork	0.200
R-free	0.24620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.377
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.600	2.560
High resolution limit [Å]	2.500	2.500
Rmerge	0.309	1.992
Rmeas	0.321	2.067
Rpim	0.086	0.550
Total number of observations	2047251	153541
Number of reflections	150533	11001
<I/σ(I)>	9.8	1.6
Completeness [%]	100.0
Redundancy	13.6	14
CC(1/2)	0.995	0.557

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M sodium acetate, 0.1 M Bis Tris propane, pH 7.0, 20% PEG 3350