7ZO5

L1 metallo-beta-lactamase in complex with a mecillinam degradation product

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.975
Spacegroup name	P 64 2 2
Unit cell lengths	105.610, 105.610, 98.450
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.530 - 1.430
R-factor	0.1595
Rwork	0.159
R-free	0.17890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7o0o
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.220	1.450
High resolution limit [Å]	1.430	1.430
Rpim	0.023	1.832
Number of reflections	60073	2910
<I/σ(I)>	14.2	0.5
Completeness [%]	100.0	99.8
Redundancy	38	36.9
CC(1/2)	0.999	0.355

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.