8B2W

Millisecond cryo-trapping by the spitrobot crystal plunger, CTX-M-14 E166A, Ampicillin, 500 MS

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]	100
Detector technology	PIXEL
Collection date	2022-02-22
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97626
Spacegroup name	P 32 2 1
Unit cell lengths	41.812, 41.812, 232.864
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.810 - 1.780
R-factor	0.2257
Rwork	0.223
R-free	0.27380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gth
RMSD bond length	0.003
RMSD bond angle	0.657
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.621	2.084
High resolution limit [Å]	1.780	1.780
Number of reflections	13533	677
<I/σ(I)>	9.5
Completeness [%]	79.9
Redundancy	10.1
CC(1/2)	0.999	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4.5	293	40% PEG8000, 200 mM LiSO4, 100 mM NaOAc, pH 4.5