6OC6

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

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 2
Unit cell lengths	101.272, 101.941, 103.691
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.350 - 2.890
R-factor	0.2062
Rwork	0.204
R-free	0.25810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6oc5
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18rc1-3769)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	3.000
High resolution limit [Å]	2.890	6.240	2.900
Rmerge	0.303	0.110	1.020
Rmeas	0.339	0.124	1.145
Rpim	0.150	0.056	0.509
Number of reflections	24645	2648	2388
<I/σ(I)>	2.9
Completeness [%]	99.8	100	98.7
Redundancy	4.8	4.6	4.7
CC(1/2)		0.990	0.525

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294.15	0.2M Ammonium chloride, 20% PEG 3350