6NIQ
Crystal Structure of the Putative Class A Beta-Lactamase PenP from Rhodopseudomonas palustris
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 | 2018-12-16 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.608, 69.711, 112.505 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.122 - 1.353 |
| R-factor | 0.1498 |
| Rwork | 0.148 |
| R-free | 0.17600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 5FQM |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.210 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.115 | 0.892 |
| Number of reflections | 117316 | 4903 |
| <I/σ(I)> | 26.3 | 1.5 |
| Completeness [%] | 97.9 | 82.8 |
| Redundancy | 10.8 | 7.4 |
| CC(1/2) | 0.761 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.2 M sodium Chloride, 0.1 M Tris pH 7.0, 30 % (w/v) PEG3000 |
