6RZR

Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed imipenem

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-11
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	48.207, 90.925, 120.811
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.500 - 1.900
R-factor	0.1909
Rwork	0.189
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6r79
RMSD bond length	0.010
RMSD bond angle	1.464
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.500	1.960
High resolution limit [Å]	1.900	1.900
Number of reflections	42307	4082
<I/σ(I)>	11.65
Completeness [%]	99.2
Redundancy	6.6
CC(1/2)	0.990	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M Bis-Tris pH 5.5, 0.2 M Ammonium sulfate, 25% PEG 3350