6F6C

R2-like ligand-binding oxidase V72A mutant with aerobically reconstituted Mn/Fe cofactor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-03
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.978
Spacegroup name	C 1 2 1
Unit cell lengths	162.462, 55.818, 69.741
Unit cell angles	90.00, 114.09, 90.00

Refinement procedure

Resolution	43.574 - 1.766
R-factor	0.1817
Rwork	0.179
R-free	0.22260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hr0
RMSD bond length	0.016
RMSD bond angle	1.041
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.870
High resolution limit [Å]	1.766	1.766
Rmerge	0.045	0.782
Rmeas	0.054	0.936
Number of reflections	53633	7702
<I/σ(I)>	13.7	1.2
Completeness [%]	95.2	85.1
Redundancy	3.3	3
CC(1/2)	0.999	0.725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	295	20% (W/V) PEG 1500, 0.1 M HEPES-NA PH 6.9, streak-seeded with crystals of the wild-type protein