6CAC
Crystal structure of NDM-1 metallo-beta-lactamase harboring an insertion of a Pro residue in 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 | 2017-07-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.707, 91.737, 134.329 |
| Unit cell angles | 90.00, 107.16, 90.00 |
Refinement procedure
| Resolution | 45.870 - 1.790 |
| R-factor | 0.163 |
| Rwork | 0.163 |
| R-free | 0.18100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3spu chain C |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.870 | 1.830 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.059 | 0.648 |
| Rpim | 0.044 | 0.506 |
| Number of reflections | 96133 | 3895 |
| <I/σ(I)> | 11.9 | 1.9 |
| Completeness [%] | 97.0 | 80.4 |
| Redundancy | 4.7 | 4.2 |
| CC(1/2) | 0.998 | 0.817 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 100 mM Hepes (pH = 7), 500 mM (NH4)2SO4, 5 mM CoCl2-NiCl2-MgCl2-CdCl2 and 12-30% w/v PEG 3350 |
