9R0R

Class A CTX-M-14 E166A mutant in complex with Oxacillin 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	39.030 - 1.800
R-factor	0.2031
Rwork	0.201
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.757
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	27980	2742
<I/σ(I)>	2.65
Completeness [%]	100.0
Redundancy	43.8
CC(1/2)	0.861	0.225

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