6ZTV

Crystal Structure of catalase HPII from Escherichia coli (serendipitously crystallized)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	73.784, 172.257, 123.176
Unit cell angles	90.00, 104.52, 90.00

Refinement procedure

Resolution	69.430 - 1.780
R-factor	0.1891
Rwork	0.189
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gge
RMSD bond length	0.006
RMSD bond angle	1.091
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	1.890
High resolution limit [Å]	1.780	1.780
Rmerge	0.100	0.802
Rmeas	0.113	0.905
Number of reflections	282120	45601
<I/σ(I)>	11.54	1.84
Completeness [%]	99.4	99.5
Redundancy	4.56	4.62
CC(1/2)	0.998	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	0.2 M NaCl, 0.1 M Tris pH 7.5, 20% w/v PEG 4000, 10% MPD