6F6H

R2-like ligand-binding oxidase V72L 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	163.395, 55.783, 69.607
Unit cell angles	90.00, 114.06, 90.00

Refinement procedure

Resolution	43.526 - 1.764
R-factor	0.1845
Rwork	0.182
R-free	0.23450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hr0
RMSD bond length	0.015
RMSD bond angle	1.038
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]	1.760	1.760
Rmerge	0.054	0.798
Rmeas	0.065	0.960
Number of reflections	52983	6957
<I/σ(I)>	11	1.1
Completeness [%]	93.5	76.5
Redundancy	3.3	3
CC(1/2)	0.998	0.674

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	20% (W/V) PEG 1500, 0.1 M HEPES-NA PH 7.0, streak-seeded with crystals of wild-type protein