6TS9

Crystal structure of GES-5 carbapenemase

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	2019-07-04
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.97624
Spacegroup name	P 21 21 21
Unit cell lengths	76.300, 80.360, 87.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.330 - 1.550
Rwork	0.179
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gnu
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.330	1.605
High resolution limit [Å]	1.550	1.550
Rmerge	0.046	0.564
Number of reflections	78894	7770
<I/σ(I)>	18.96	2.69
Completeness [%]	100.0
Redundancy	6
CC(1/2)	1.000	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2 M NaBr; 0.1 M Bis Tris propane pH 8.5; 20% w/v PEG 3350