6I95

R2-like ligand-binding oxidase G68L 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	55.958, 97.602, 127.528
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.801 - 1.646
R-factor	0.1749
Rwork	0.173
R-free	0.20370
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4hr4
RMSD bond length	0.013
RMSD bond angle	1.101
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	1.750
High resolution limit [Å]	1.646	1.646
Rmerge	0.039	0.941
Rmeas	0.042	1.018
Number of reflections	41902	6490
<I/σ(I)>	23.09	2
Completeness [%]	98.1	95.2
Redundancy	6.6	6.7
CC(1/2)	0.999	0.750

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