7K2Y

Crystal structure of CTX-M-14 E166A/K234R Beta-lactamase in complex with hydrolyzed ampicillin

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	2019-05-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11
Spacegroup name	P 32 2 1
Unit cell lengths	41.630, 41.630, 231.473
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.600 - 1.620
R-factor	0.1895
Rwork	0.188
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ylt
RMSD bond length	0.005
RMSD bond angle	0.811
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.600	5.120
High resolution limit [Å]	1.620	1.620
Rmerge	0.074	0.074
Rmeas	0.078
Rpim	0.025
Number of reflections	56337	30633
<I/σ(I)>	18	7.5
Completeness [%]	98.4	98.3
Redundancy	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	0.2 M Magnesium Chloride 0.1 M HEPES pH7 20%(w/v) PEG6000