6C89
NDM-1 Beta-Lactamase Exhibits Differential Active Site Sequence Requirements for the Hydrolysis of Penicillin versus Carbapenem Antibiotics
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-09-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.167, 68.861, 68.441 |
| Unit cell angles | 92.23, 77.03, 91.84 |
Refinement procedure
| Resolution | 37.236 - 1.750 |
| R-factor | 0.158241721583 |
| Rwork | 0.156 |
| R-free | 0.19952 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3Q6X |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.767 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | phenix.refine (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.668 | 1.813 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.053 | 0.325 |
| Number of reflections | 75377 | 4529 |
| <I/σ(I)> | 17.6 | |
| Completeness [%] | 91.1 | 54.76 |
| Redundancy | 2.3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 0.2 M LiCl, 0.1 M HEPES, pH7.0, 20% (w/v) PEG6000 |
