6Z7H

Structure of CTX-M-15 E166Q mutant crystallised in the presence of enmetazobactam (AAI101)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.90
Spacegroup name	P 21 21 21
Unit cell lengths	44.935, 45.898, 118.212
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.790 - 1.420
R-factor	0.1396
Rwork	0.138
R-free	0.17280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qw8
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.900	1.450
High resolution limit [Å]	1.420	1.420
Rpim	0.059	0.953
Number of reflections	47116	2382
<I/σ(I)>	8.3	1.2
Completeness [%]	100.0	100
Redundancy	13.1	12.8
CC(1/2)	0.997	0.427

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292.15	2.0 M ammonium sulphate, 0.1 M Tris 8.0, 10mM enmetazobactam (AAI101)