4XBV

R2-like ligand-binding oxidase with anaerobically reconstituted diiron 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	PSI PILATUS 6M
Wavelength(s)	1.000020
Spacegroup name	P 21 21 2
Unit cell lengths	128.584, 98.077, 55.987
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.622 - 1.799
R-factor	0.1905
Rwork	0.189
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hr4
RMSD bond length	0.018
RMSD bond angle	1.286
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1606))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.910
High resolution limit [Å]	1.799	1.799
Rmerge	0.090	0.956
Number of reflections	66383
<I/σ(I)>	13.35	1.75
Completeness [%]	99.7	98.5
Redundancy	6.4	6.4

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, pH7.4