6BNC

Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, Thr315Ala mutant di-zinc and PEG complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.278150
Spacegroup name	P 21 21 2
Unit cell lengths	74.051, 154.246, 66.392
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.822 - 1.500
R-factor	0.1327
Rwork	0.132
R-free	0.15270
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.468
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (phenix.phaser)
Refinement software	PHENIX ((dev_2733: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.088	0.595
Rpim	0.026	0.203
Number of reflections	121223	6059
<I/σ(I)>	30.68	4.1
Completeness [%]	99.9	100
Redundancy	11.9	8.8
CC(1/2)		0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	0.1 M Tris pH 8, 28% (w/v) PEG 4k, 3 mM zinc chloride and 2 mM lipid A headgroup (Glycobiotech GmbH). Cryoprotectant paratone.