7ZO7

L1 metallo-beta-lactamase in complex with hydrolysed cefmetazole

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	2018-09-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97633
Spacegroup name	P 64 2 2
Unit cell lengths	105.469, 105.469, 98.135
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	66.860 - 1.630
R-factor	0.1598
Rwork	0.159
R-free	0.17470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7o0o
RMSD bond length	0.008
RMSD bond angle	1.008
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.400	1.670
High resolution limit [Å]	1.629	1.629
Rpim	0.024	0.705
Number of reflections	40756	2980
<I/σ(I)>	17.6	1.6
Completeness [%]	100.0
Redundancy	37.9
CC(1/2)	0.999	0.667

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.