6ZTX

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	93.213, 132.926, 121.650
Unit cell angles	90.00, 109.65, 90.00

Refinement procedure

Resolution	44.760 - 1.300
R-factor	0.1345
Rwork	0.135
R-free	0.16230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gge
RMSD bond length	0.005
RMSD bond angle	1.081
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]	50.000	1.380
High resolution limit [Å]	1.300	1.300
Rmerge	0.102	1.101
Rmeas	0.115	1.236
Number of reflections	670790	106698
<I/σ(I)>	11.78	2
Completeness [%]	98.3	96.9
Redundancy	4.84	4.86
CC(1/2)	0.998	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	0.2 M lithium sulfate monohydrate, 0.1 M Tris pH 8.5, 25% w/v polyethylene glycol 3350