6ZTW

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	2019-10-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	121.188, 168.071, 137.982
Unit cell angles	90.00, 105.24, 90.00

Refinement procedure

Resolution	78.250 - 1.840
R-factor	0.1445
Rwork	0.144
R-free	0.18390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gge
RMSD bond length	0.007
RMSD bond angle	1.086
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	1.950
High resolution limit [Å]	1.840	1.840
Rmerge	0.124	0.685
Rmeas	0.140	0.776
Number of reflections	452364	72060
<I/σ(I)>	9.85	1.97
Completeness [%]	98.4	97.1
Redundancy	4.66	4.53
CC(1/2)	0.996	0.714

Crystallization Conditions

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