1LRW

Crystal structure of methanol dehydrogenase from P. denitrificans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Temperature [K]	277
Detector technology	AREA DETECTOR
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	113.340, 122.280, 107.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 * - 2.490 *
R-factor	0.179
Rwork	0.179
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 4AAH
RMSD bond length	0.006
RMSD bond angle	1.380 *
Phasing software	MERLOT
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000 *	2.680
High resolution limit [Å]	2.490	2.490
Rmerge	0.093 *	0.262 *
Total number of observations	317794 *
Number of reflections	49524
<I/σ(I)>	13.9	1.9
Completeness [%]	93.8	70.1 *
Redundancy	6.4	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5 *	293	PEG 3350, Tris-HCl, Li2SO4, pH 8.3, seeding, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	20 (mg/ml)
2	1	reservoir	Tris-HCl	0.1 (M)	pH8.5
3	1	reservoir	PEG4000	30 (%)
4	1	reservoir		0.2 (M)