6QK0

R2-like ligand-binding oxidase E69D 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)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	160.808, 55.963, 98.059
Unit cell angles	90.00, 126.23, 90.00

Refinement procedure

Resolution	48.601 - 2.091
R-factor	0.212
Rwork	0.209
R-free	0.26280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hr4
RMSD bond length	0.021
RMSD bond angle	1.262
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	2.220
High resolution limit [Å]	2.090	2.090
Rmerge	0.067	0.799
Rmeas	0.079	0.945
Number of reflections	40539	6205
<I/σ(I)>	13	1.65
Completeness [%]	96.3	91.7
Redundancy	3.4	3.4
CC(1/2)	0.999	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.7	295	30% (W/V) PEG 1500, 0.1 M HEPES-NA PH 7.7