8J4Q

Crystal structure of eKatE (extra KatE) from atypical E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	76.585, 178.935, 107.279
Unit cell angles	90.00, 106.70, 90.00

Refinement procedure

Resolution	47.490 - 2.100
R-factor	0.1731
Rwork	0.173
R-free	0.21340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.012
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.490	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.064	0.485
Number of reflections	156082	15567
<I/σ(I)>	11.5	1.72
Completeness [%]	97.1
Redundancy	1.9
CC(1/2)	0.994	0.643

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M sodium cacodylate, 40% MPD, PEG8000 5%