6Z7J

Structure of CTX-M-15 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	44.806, 45.994, 118.784
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.920 - 1.140
R-factor	0.1393
Rwork	0.139
R-free	0.15200
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]	45.990	1.150
High resolution limit [Å]	1.140	1.140
Rpim	0.048	0.538
Number of reflections	91464	4448
<I/σ(I)>	8.4	1.3
Completeness [%]	99.9	99.2
Redundancy	13	12.7
CC(1/2)	0.997	0.740

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)