6JED

Crystal structure of IMP-1 metallo-beta-lactamase in a complex with MCR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-17
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	35.920, 56.820, 101.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.530 - 1.570
R-factor	0.16654
Rwork	0.165
R-free	0.19969
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y5b
RMSD bond length	0.008
RMSD bond angle	1.266
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.820	1.650
High resolution limit [Å]	1.570	1.570
Rmerge	0.064	0.354
Number of reflections	29943	4256
<I/σ(I)>	22.2	6.4
Completeness [%]	100.0	100
Redundancy	11.3	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M sodium acetate, 0.1M sodium HEPES buffer (pH 7.5), 25% PEG 3350