6I92

R2-like ligand-binding oxidase G68F 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	2013-10-03
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.00
Spacegroup name	I 2 2 2
Unit cell lengths	56.236, 96.593, 127.638
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.600 - 1.849
R-factor	0.2021
Rwork	0.201
R-free	0.22880
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4hr4
RMSD bond length	0.016
RMSD bond angle	1.067
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.960
High resolution limit [Å]	1.849	1.850
Rmerge	0.046	0.997
Rmeas	0.050	1.086
Number of reflections	30050	4713
<I/σ(I)>	20.34	1.8
Completeness [%]	99.6	98.3
Redundancy	6.4	6.3
CC(1/2)	0.999	0.777

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	295	27.5% (W/V) PEG 1500, 0.1 M HEPES-NA PH 7.4