7AFZ

L1 metallo-b-lactamase with compound EBL-1306

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91584
Spacegroup name	P 64 2 2
Unit cell lengths	104.780, 104.780, 98.110
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	66.617 - 1.500
R-factor	0.1531
Rwork	0.152
R-free	0.16750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5evd
RMSD bond length	0.008
RMSD bond angle	0.933
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.620	1.530
High resolution limit [Å]	1.500	1.500
Rpim	0.020	0.440
Number of reflections	51300	2506
<I/σ(I)>	23.4	2.6
Completeness [%]	100.0	100
Redundancy	68.8	56.8
CC(1/2)	1.000	0.564

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	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.