7YHB

Crystal structure of VIM-2 MBL in complex with (2-(4-phenyl-1H-1,2,3-triazol-1-yl)benzyl)phosphonic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	195
Detector technology	PIXEL
Collection date	2019-12-24
Detector	DECTRIS PILATUS3 X CdTe 1M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	100.517, 79.293, 67.395
Unit cell angles	90.00, 130.16, 90.00

Refinement procedure

Resolution	19.093 - 1.430
R-factor	0.264
Rwork	0.263
R-free	0.30840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jn6
RMSD bond length	0.023
RMSD bond angle	0.959
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.10.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.450	1.540
High resolution limit [Å]	1.430	1.430
Rmerge	0.097	0.891
Number of reflections	91708	14215
<I/σ(I)>	8.1
Completeness [%]	96.6
Redundancy	6
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M Magnesium Formate, 23-30% (v/v) Polyethylene glycol 3350