5EKB

R2-like ligand-binding oxidase with aerobically reconstituted Mn/Fe cofactor (reconstituted in solution)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	I 2 2 2
Unit cell lengths	56.041, 97.217, 128.279
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.609 - 2.074
R-factor	0.1927
Rwork	0.190
R-free	0.24420
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4hr0
RMSD bond length	0.017
RMSD bond angle	1.174
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.200
High resolution limit [Å]	2.070	2.070
Rmerge	0.091	1.576
Number of reflections	21369
<I/σ(I)>	11.8	0.95
Completeness [%]	98.8	92.8
Redundancy	6.4	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	295	20% (W/V) PEG 1500, 0.1 M HEPES-NA PH 6.8