6DAM

Crystal structure of lanthanide-dependent methanol dehydrogenase XoxF from Methylomicrobium buryatense 5G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9790
Spacegroup name	C 2 2 21
Unit cell lengths	55.347, 92.283, 191.772
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.674 - 1.850
R-factor	0.1531
Rwork	0.151
R-free	0.18150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mae
RMSD bond length	0.007
RMSD bond angle	0.891
Data scaling software	HKL-2000
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.920
High resolution limit [Å]	1.850	1.850
Rmeas	0.140	0.865
Rpim	0.043	0.267
Number of reflections	39629
<I/σ(I)>	51	9.2
Completeness [%]	93.6	82
Redundancy	9.7	8.6
CC(1/2)		0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	0.2 M magnesium acetate, 0.1 M sodium cacodylate, pH 6.5, and 20% PEG 8000
1	VAPOR DIFFUSION, SITTING DROP		296	0.2 M magnesium acetate, 0.1 M sodium cacodylate, pH 6.5, and 20% PEG 8000