8RS1

CTX-M-14 measured via serial crystallography from a kapton HARE-chip (125 micron)

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	2023-04-29
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 - 1.630
R-factor	0.1662
Rwork	0.165
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.775
Data reduction software	CrystFEL (0.10.2)
Data scaling software	CrystFEL (0.10.2)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.070	1.680
High resolution limit [Å]	1.630	1.630
Number of reflections	31624	2675
<I/σ(I)>	5.34	0.95
Completeness [%]	100.0	100
Redundancy	212.6
CC(1/2)	0.971	0.551

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