6F6L

R2-like ligand-binding oxidase Y162F 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	2015-07-03
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.978
Spacegroup name	C 1 2 1
Unit cell lengths	162.748, 55.730, 69.456
Unit cell angles	90.00, 113.92, 90.00

Refinement procedure

Resolution	43.463 - 1.904
R-factor	0.1676
Rwork	0.166
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hr0
RMSD bond length	0.017
RMSD bond angle	1.052
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.900	1.900
Rmerge	0.043	0.693
Rmeas	0.051	0.828
Number of reflections	42300	5645
<I/σ(I)>	14.87	1.59
Completeness [%]	94.2	78.6
Redundancy	3.4	3.1
CC(1/2)	0.999	0.676

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	295	22.5% (W/V) PEG 1500, 0.1 M HEPES-NA PH 6.9, streak-seeded with crystals of wild-type protein