6QK1

R2-like ligand-binding oxidase Y175F 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	2012-11-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.999900
Spacegroup name	I 2 2 2
Unit cell lengths	55.868, 97.304, 129.112
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.854 - 1.754
R-factor	0.1813
Rwork	0.179
R-free	0.22070
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4hr0
RMSD bond length	0.018
RMSD bond angle	1.086
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.750	1.750
Rmerge	0.035	0.760
Rmeas	0.040	0.876
Number of reflections	35227	5598
<I/σ(I)>	19.9	1.74
Completeness [%]	98.7	98.2
Redundancy	4.1	4
CC(1/2)	0.999	0.684

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