8EHU

Crystal structure of the environmental CRH-1 class A carbapenemase at 1.1 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.885601
Spacegroup name	P 1 21 1
Unit cell lengths	36.430, 72.900, 52.060
Unit cell angles	90.00, 92.27, 90.00

Refinement procedure

Resolution	42.340 - 1.100
R-factor	0.1661
Rwork	0.165
R-free	0.17860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eqi
RMSD bond length	0.008
RMSD bond angle	1.077
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.340	1.170
High resolution limit [Å]	1.100	1.100
Rmeas	0.052	0.197
Number of reflections	105857	16478
<I/σ(I)>	22.61	7.8
Completeness [%]	96.2	98.6
Redundancy	6.85	6
CC(1/2)	0.998	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	294	18% (w/v) PEG 4000 + 0.2 M lithium chloride + 0.1 M Tris-HCl pH 8.5