6V71
Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Nitrate in the Active Site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-08-15 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 77.362, 77.362, 241.321 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.680 - 1.400 |
| R-factor | 0.1441 |
| Rwork | 0.143 |
| R-free | 0.16220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6v54 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.253 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.680 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 53220 | 1991 |
| <I/σ(I)> | 35.2 | 2.3 |
| Completeness [%] | 96.3 | |
| Redundancy | 8.8 | 6.9 |
| CC(1/2) | 0.788 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 4.0 M Sodium nitrate; 0.1M TRIS pH 8.5 |
