8Z5L

Crystal structure of metallo-beta-lactamse, IMP-1, complexed with a quinolinone-based inhibitor

This is a non-PDB format compatible entry.

Replaces:  8Y0S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	48.607, 77.619, 259.813
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.300 - 2.650
R-factor	0.215
Rwork	0.210
R-free	0.28780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.149
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.520	2.780
High resolution limit [Å]	2.650	2.650
Rmerge	0.159	1.083
Rmeas	0.176	1.189
Rpim	0.073	0.483
Total number of observations	180450	23066
Number of reflections	29377	3809
<I/σ(I)>	10.5	1.8
Completeness [%]	99.5
Redundancy	6.1	6.1
CC(1/2)	0.992	0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	100mM HEPES, 15%(W/V) PEG 20000