6V6G

Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase

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 S 6M
Wavelength(s)	0.977408
Spacegroup name	P 32 2 1
Unit cell lengths	41.428, 41.428, 231.066
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.880 - 1.500
R-factor	0.1843
Rwork	0.183
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ylt
RMSD bond length	0.007
RMSD bond angle	0.917
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]	35.880	1.560
High resolution limit [Å]	1.500	1.500
Rmerge	0.056	0.465
Rmeas	0.060	0.488
Rpim	0.021	0.149
Number of reflections	37871	3494
<I/σ(I)>	30.8	5.1
Completeness [%]	98.8
Redundancy	8.4
CC(1/2)		0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.2 M CaCl2, 0.1 M sodium acetate pH 5, 20% (w/v) PEG 6000