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 |