6R73

Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed meropenem

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	90
Detector technology	PIXEL
Collection date	2018-06-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9765
Spacegroup name	P 1 21 1
Unit cell lengths	57.979, 72.368, 61.194
Unit cell angles	90.00, 108.47, 90.00

Refinement procedure

Resolution	58.040 - 2.300
R-factor	0.1918
Rwork	0.189
R-free	0.24810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dd6
RMSD bond length	0.007
RMSD bond angle	0.993
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.040	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.068	0.402
Number of reflections	20856	2130
<I/σ(I)>	7.62	1.94
Completeness [%]	97.0	99.3
Redundancy	1.9	1.9
CC(1/2)	0.995	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.1 M Bis-Tris pH 6.5, 25% PEG 3350, cryo-protected with MPD