6V83

Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.977408
Spacegroup name	P 41 21 2
Unit cell lengths	42.357, 42.357, 262.692
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.820 - 1.800
R-factor	0.173
Rwork	0.171
R-free	0.20740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ylt
RMSD bond length	0.006
RMSD bond angle	0.962
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.820	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.094	0.600
Rmeas	0.097	0.622
Rpim	0.024	0.137
Number of reflections	23552	2299
<I/σ(I)>	31.3	5.4
Completeness [%]	100.0	100
Redundancy	16.7	19.9
CC(1/2)		0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.1 M PCB buffer pH 6, 25% (w/v) PEG 1500