6QK2

R2-like ligand-binding oxidase Y715F 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	P 21 21 2
Unit cell lengths	129.119, 97.794, 55.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.592 - 1.596
R-factor	0.1739
Rwork	0.173
R-free	0.18980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hr4
RMSD bond length	0.015
RMSD bond angle	1.052
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.690
High resolution limit [Å]	1.596	1.600
Rmerge	0.064	0.805
Rmeas	0.070	0.878
Number of reflections	94346	14804
<I/σ(I)>	15.29	1.97
Completeness [%]	99.4	97.6
Redundancy	6.5	6.3
CC(1/2)	0.998	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	295	30% (W/V) PEG 1500, 0.1 M HEPES-NA PH 7.4