6V70
Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Cadmium 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 | CCD |
| Collection date | 2015-08-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97934 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 80.352, 80.352, 245.373 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.470 - 1.950 |
| R-factor | 0.167 |
| Rwork | 0.166 |
| R-free | 0.18320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6v54 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.021 |
| 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] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 22753 | 1121 |
| <I/σ(I)> | 22.4 | 1.88 |
| Completeness [%] | 99.9 | |
| Redundancy | 5.2 | |
| CC(1/2) | 0.658 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 20% PEG 8000; 0.1M TRIS pH 8.5; 0.2M MgCl2 |
