9G82

CTX-M-14 mixed with piperacillin at 3s delay time - serial crystallography temperature series; 37C, 310K

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]	310
Detector technology	PIXEL
Collection date	2022-09-15
Detector	DECTRIS EIGER X 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	0.1703
Rwork	0.169
R-free	0.19950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.949
Data reduction software	CrystFEL (0.10.2)
Data scaling software	CrystFEL (0.10.2)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.070	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	27982	2734
<I/σ(I)>	4.36	0.66
Completeness [%]	100.0	100
Redundancy	174.5	106.4
CC(1/2)	0.959	0.252

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4.5	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