6PT7

Structure of KatE1 catalase from Acinetobacter sp. Ver3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9786
Spacegroup name	I 41 2 2
Unit cell lengths	112.538, 112.538, 314.634
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.750 - 2.150
R-factor	0.1758
Rwork	0.174
R-free	0.20890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2isa
RMSD bond length	0.011
RMSD bond angle	1.929
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.750	2.227
High resolution limit [Å]	2.150	2.150
Rmerge	0.178
Number of reflections	55226	5401
<I/σ(I)>	11.32
Completeness [%]	99.8
Redundancy	14.6
CC(1/2)	0.998	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M sodium HEPES pH 7.5, 0.8 M Na-K tartrate