7ZO4

L1 metallo-beta-lactamase in complex with hydrolysed panipenem

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97623
Spacegroup name	P 64 2 2
Unit cell lengths	105.081, 105.081, 98.418
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	66.820 - 1.430
R-factor	0.1644
Rwork	0.163
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7o0o
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.820	1.450
High resolution limit [Å]	1.430	1.430
Rpim	0.014	1.514
Number of reflections	59520	2880
<I/σ(I)>	19.1	0.2
Completeness [%]	100.0	98.7
Redundancy	38.5	39.1
CC(1/2)	1.000	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	100 mM Hepes pH 7.75, 2.0 M ammonium sulphate, 1.5% PEG400. 1 ul protein (15 mg/ml) mixed with 1 ul reservoir.