7FCT

Crystal structure of metallo-beta-lactamase MBLBt2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-10-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 31 2 1
Unit cell lengths	153.561, 153.561, 53.257
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.760 - 1.800
R-factor	0.1624
Rwork	0.162
R-free	0.18590
Structure solution method	AB INITIO PHASING
RMSD bond length	0.010
RMSD bond angle	1.114
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.19rc5_4047)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	1.840
High resolution limit [Å]	1.800	1.800
Rmeas		0.500
Number of reflections	269158	17214
<I/σ(I)>	7.56
Completeness [%]	100.0	92.5
Redundancy	14.09	14.6
CC(1/2)	0.990	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	30% MPD, 0.1 M Imidazole pH 7.4, 0.2 M MgCl2, 0.2 M Sodium chloride