6F6M

R2-like ligand-binding oxidase Y162F 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	161.300, 55.599, 69.970
Unit cell angles	90.00, 113.97, 90.00

Refinement procedure

Resolution	43.522 - 1.393
R-factor	0.1501
Rwork	0.149
R-free	0.18670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hr4
RMSD bond length	0.013
RMSD bond angle	0.984
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	1.480
High resolution limit [Å]	1.390	1.390
Rmerge	0.036	0.986
Rmeas	0.042	1.223
Number of reflections	108553	15299
<I/σ(I)>	15.08	1.06
Completeness [%]	95.5	83.7
Redundancy	3.3	2.8
CC(1/2)	0.999	0.568

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	22.5% (W/V) PEG 1500, 0.1 M HEPES-NA PH 7.0, streak-seeded with crystals of wild-type protein