6C6I
Crystal structure of a chimeric NDM-1 metallo-beta-lactamase harboring the IMP-1 L3 loop
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 1 |
| Unit cell lengths | 38.289, 39.250, 73.873 |
| Unit cell angles | 90.89, 93.10, 90.02 |
Refinement procedure
| Resolution | 24.160 - 1.650 |
| R-factor | 0.204 |
| Rwork | 0.203 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hl2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.720 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmeas | 0.141 | 0.516 |
| Rpim | 0.100 | 0.365 |
| Number of reflections | 49940 | 4798 |
| <I/σ(I)> | 5.3 | 2.1 |
| Completeness [%] | 96.6 | 94.8 |
| Redundancy | 2 | 2 |
| CC(1/2) | 0.992 | 0.787 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.55 | 293 | 1.35 M ammonium sulfate. 0.1 M HEPES pH 7.55, 0.1 M sodium chloride, microseeding |
