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. |