6QW7

Crystal structure of L2 complexed with relebactam (16 hour soak)

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	2018-03-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	69.958, 84.340, 94.136
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.816 - 1.780
R-factor	0.1616
Rwork	0.159
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ne2
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.820	1.820
High resolution limit [Å]	1.780	1.780
Rpim	0.104	0.482
Number of reflections	54128	2723
<I/σ(I)>	7.8	2.3
Completeness [%]	100.0
Redundancy	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294.15	10% w/v PEG 20000, 20% v/v PEG MME 550, 0.02 M DL-Glutamic acid; 0.02 M DL-Alanine; 0.02 M Glycine; 0.02 M DL-Lysine; 0.02 M DL-Serine, 0.1 M bicine/Trizma base pH 8.5