5DCR

R2-like ligand-binding oxidase with aerobically reconstituted Mn/Fe cofactor (short soak)

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	2012-03-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	I 2 2 2
Unit cell lengths	56.190, 97.339, 129.764
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.664 - 2.108
R-factor	0.1677
Rwork	0.165
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hro
RMSD bond length	0.019
RMSD bond angle	1.332
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.108	2.108
Rmerge	0.100	0.446
Number of reflections	20697
<I/σ(I)>	7.29	1.76
Completeness [%]	98.7	97.2
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	22.5% (w/v) PEG1500, 0.1 M HEPES-Na pH 7.0