6V6P

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-09-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00004
Spacegroup name	P 41 21 2
Unit cell lengths	41.930, 41.930, 259.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.390 - 1.550
R-factor	0.1691
Rwork	0.168
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ylt
RMSD bond length	0.011
RMSD bond angle	1.166
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.390	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.097	0.187
Rmeas	0.102	0.194
Rpim	0.028	0.049
Number of reflections	30051	2829
<I/σ(I)>	16.6
Completeness [%]	85.6
Redundancy	11.8
CC(1/2)		0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1 M Tris-HCl pH 8.5, 25% (w/v) PEG 3000