4B7F

Structure of a liganded bacterial catalase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-04-27
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 63
Unit cell lengths	151.510, 151.510, 156.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	100.580 - 1.760
R-factor	0.1597
Rwork	0.158
R-free	0.19420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8cat
RMSD bond length	0.007
RMSD bond angle	1.176
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]	100.580	1.810
High resolution limit [Å]	1.760	1.760
Rmerge	0.100	0.590
Number of reflections	186963
<I/σ(I)>	9	2.4
Completeness [%]	93.0	93.6
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1