7BDR

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	44.678, 45.671, 117.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.560 - 0.910
R-factor	0.1145
Rwork	0.114
R-free	0.12630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qw8
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.670	0.930
High resolution limit [Å]	0.910	0.910
Rpim	0.020	0.322
Number of reflections	161393	3913
<I/σ(I)>	18.7	1.9
Completeness [%]	93.6	46.7
Redundancy	11.8	4.8
CC(1/2)	0.998	0.753

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294.15	2.0 M ammonium sulphate, 0.1 M Tris 8.0