6RJR

Crystal structure of a Fungal Catalase at 1.9 Angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97922
Spacegroup name	P 21 21 21
Unit cell lengths	96.670, 131.620, 176.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.980 - 1.895
R-factor	0.1839
Rwork	0.181
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	wwPDB 6RJN
RMSD bond length	0.012
RMSD bond angle	1.210
Data reduction software	XDS (Oct 15, 2015)
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.980	1.963
High resolution limit [Å]	1.895	1.895
Rmerge	0.136	0.534
Rmeas	0.155	0.615
Rpim	0.074	0.300
Number of reflections	764478	63907
<I/σ(I)>	8.68
Completeness [%]	98.9	91.62
Redundancy	4.3	4
CC(1/2)	0.995	0.238

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	0.1 M sodium citrate, pH 5.5, 20% (w/v) polyethylene glycol (PEG) 3000