6BNF

Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, mono-zinc 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	2016-06-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.27424
Spacegroup name	P 41 3 2
Unit cell lengths	148.272, 148.272, 148.272
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.532 - 2.330
R-factor	0.2105
Rwork	0.208
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bne
RMSD bond length	0.006
RMSD bond angle	1.274
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX (phenix.phaser)
Refinement software	PHENIX ((dev_2733: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	104.840	2.390
High resolution limit [Å]	2.330	2.330
Rmerge	0.161	3.941
Rpim	0.025	0.672
Number of reflections	24451	1766
<I/σ(I)>	24	2
Completeness [%]	100.0	100
Redundancy	76.5	66.5
CC(1/2)	1.000	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	0.1 M sodium acetate pH 4.6, 1.2 M ammonium sulfate, soaking 2.5 mM zinc chloride for 30 minutes. Cryoprotectant 8% glycerol, 8% ethylene glycol, 8% sucrose.