9RAJ

Class A CTX-M-14 E166A mutant in complex with Dicloxacillin at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	293
Detector technology	PIXEL
Collection date	2021-09-23
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.976
Spacegroup name	P 32 2 1
Unit cell lengths	42.150, 42.150, 234.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	78.070 - 1.700
R-factor	0.1984
Rwork	0.197
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.174
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	117.650	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	27982	2734
<I/σ(I)>	4.04
Completeness [%]	100.0
Redundancy	92.8
CC(1/2)	0.938	0.535

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	CTX-M-14 solution (22 mg/ml) was mixed with 45% precipitant solution (40% PEG8000, 200mM lithium sulfate, 100mM sodium acetate, pH 4.5) and with 5% undiluted seed stock in batch crystallization setups