7ZO2

L1 metallo-beta-lactamase complex with hydrolysed doripenem

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	105.435, 105.435, 98.181
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	66.860 - 1.490
R-factor	0.1777
Rwork	0.176
R-free	0.20460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7o0o
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.860	1.520
High resolution limit [Å]	1.490	1.490
Rpim	0.015	1.425
Number of reflections	52983	2586
<I/σ(I)>	22.3	0.4
Completeness [%]	100.0
Redundancy	38.4
CC(1/2)	1.000	0.563

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.