6NI1
Crystal Structure of the Beta Lactamase Class A penP from Bacillus subtilis
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 | 2018-11-09 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 65 |
| Unit cell lengths | 87.849, 87.849, 149.853 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.924 - 1.900 |
| R-factor | 0.1575 |
| Rwork | 0.156 |
| R-free | 0.19080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 3QHY |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.926 |
| 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 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.155 | 0.967 |
| Number of reflections | 51645 | 2555 |
| <I/σ(I)> | 23 | 2.67 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 13.2 | 12.4 |
| CC(1/2) | 0.825 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 289 | 0.1 M magnesium formate 15 %(w/v) PEG3350 |
