6LF4

Crystal structure of VMB-1 bound to hydrolyzed meropenem

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979191
Spacegroup name	P 21 21 21
Unit cell lengths	73.108, 96.777, 131.716
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.990 - 2.010
R-factor	0.2118
Rwork	0.209
R-free	0.25690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jv4
RMSD bond length	0.010
RMSD bond angle	1.680
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.990	2.120
High resolution limit [Å]	2.008	2.010
Number of reflections	63155	9088
<I/σ(I)>	4.8	2.3
Completeness [%]	100.0	100
Redundancy	13.3	13.8
CC(1/2)	0.920	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.2 M Ammonium sulfate, 0.1M Bis-Tris pH 5.5, 25% PEG 3350