6R79

Structure of IMP-13 metallo-beta-lactamase in apo form (loop open)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	193
Detector technology	PIXEL
Collection date	2018-04-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9660
Spacegroup name	P 1
Unit cell lengths	44.762, 64.825, 86.546
Unit cell angles	107.52, 90.99, 94.80

Refinement procedure

Resolution	61.550 - 1.900
R-factor	0.1772
Rwork	0.175
R-free	0.21390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6r78
RMSD bond length	0.008
RMSD bond angle	1.389
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.550	1.968
High resolution limit [Å]	1.900	1.900
Number of reflections	67023	6850
<I/σ(I)>	9.58
Completeness [%]	94.7
Redundancy	1.7
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M Tris pH 8.5, 25% PEG 4000