4B7H

Structure of a highdose liganded bacterial catalase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-07-12
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 63
Unit cell lengths	151.600, 151.600, 156.870
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.334 - 1.390
R-factor	0.1315
Rwork	0.130
R-free	0.15710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.197
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.430	1.430
High resolution limit [Å]	1.390	1.390
Rmerge	0.080	0.620
Number of reflections	408156
<I/σ(I)>	12.5	2.7
Completeness [%]	99.9	100
Redundancy	6.7	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1