6F6K

R2-like ligand-binding oxidase V72L mutant with anaerobically 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	160.612, 55.655, 70.075
Unit cell angles	90.00, 114.16, 90.00

Refinement procedure

Resolution	43.574 - 1.982
R-factor	0.2011
Rwork	0.198
R-free	0.26320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hr4
RMSD bond length	0.016
RMSD bond angle	1.206
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	2.100
High resolution limit [Å]	1.980	1.980
Rmerge	0.134	1.142
Rmeas	0.160	1.365
Number of reflections	37786	5524
<I/σ(I)>	6.37	1.13
Completeness [%]	95.5	88
Redundancy	3.3	3.2
CC(1/2)	0.993	0.443

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	295	22.5% (W/V) PEG 1500, 0.1 M HEPES-NA PH 6.8, streak-seeded with crystals of wild-type protein