7K2W

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

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	2019-03-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11
Spacegroup name	P 32 2 1
Unit cell lengths	41.654, 41.654, 232.309
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.450 - 1.400
R-factor	0.2008
Rwork	0.199
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ylt
RMSD bond length	0.004
RMSD bond angle	0.830
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.450	3.600
High resolution limit [Å]	1.400	1.400
Rmerge	0.030	0.072
Rpim	0.012
Number of reflections	46585	46589
<I/σ(I)>	35.1	15.7
Completeness [%]	98.4	99.9
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	0.2 M Lithium Chloride 0.1 M Tris pH8 20%(w/v) PEG6000