6WHL
The crystal structure of a beta-lactamase from Legionella pneumophila str. Paris
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 | 2018-11-13 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.222, 178.196, 143.749 |
| Unit cell angles | 90.00, 97.04, 90.00 |
Refinement procedure
| Resolution | 42.520 - 2.300 |
| R-factor | 0.1655 |
| Rwork | 0.163 |
| R-free | 0.20810 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.895 |
| 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] | 42.600 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.057 | 0.842 |
| Rmeas | 0.068 | 1.014 |
| Rpim | 0.037 | 0.560 |
| Number of reflections | 176499 | 8765 |
| <I/σ(I)> | 15.96 | 1.53 |
| Completeness [%] | 98.7 | 98.9 |
| Redundancy | 3.1 | 3.1 |
| CC(1/2) | 0.991 | 0.551 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 296 | 0.2M ammonium tartrate dibasic, 20% (w/v) PEG 3350 |
