6BNE

Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, phosphate-bound 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	2016-06-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.27424
Spacegroup name	P 41 3 2
Unit cell lengths	147.524, 147.524, 147.524
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.226 - 2.610
R-factor	0.2358
Rwork	0.234
R-free	0.27050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kay
RMSD bond length	0.006
RMSD bond angle	1.380
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]	104.320	2.680
High resolution limit [Å]	2.610	2.610
Rmerge		3.313
Rpim	0.028	0.515
Number of reflections	17315	1250
<I/σ(I)>	24.7	2.6
Completeness [%]	100.0	100
Redundancy	77.3	79.5
CC(1/2)	1.000	0.840

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, cryoprotectant 8% glycerol, 8% ethylene glycol and 8% sucrose