6Z7K

Crystal structure of CTX-M-15 in complex with the imine form of hydrolysed tazobactam

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.82
Spacegroup name	P 21 21 21
Unit cell lengths	44.693, 45.426, 117.753
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.880 - 1.100
R-factor	0.13
Rwork	0.129
R-free	0.14380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qw8
RMSD bond length	0.008
RMSD bond angle	1.076
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.880	1.120
High resolution limit [Å]	1.100	1.100
Rpim	0.027	0.388
Number of reflections	98191	4809
<I/σ(I)>	12.9	1.9
Completeness [%]	100.0
Redundancy	12.8
CC(1/2)	0.999	0.787

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