6OC5

Lanthanide-dependent methanol dehydrogenase XoxF from Methylobacterium extorquens, in complex with Lanthanum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	58.320, 87.952, 202.134
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.610 - 2.800
R-factor	0.2509
Rwork	0.249
R-free	0.28020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mae
Data reduction software	XDS
Data scaling software	Aimless (0.5.23)
Phasing software	PHASER
Refinement software	PHENIX (1.18rc1-3769)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.610	48.610	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge	0.096	0.047	0.512
Rmeas	0.109	0.054	0.602
Rpim	0.051	0.025	0.312
Total number of observations		3573	11480
Number of reflections	25837	925	3340
<I/σ(I)>	9.3	17.9	2
Completeness [%]	97.7	97.9	88.2
Redundancy	3.9	3.9	3.4
CC(1/2)	0.994	0.995	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294.15	10% Propanol, 0.1M HEPES pH 7.5, 20% PEG 4000