6W2Z
Crystal Structure of the Beta Lactamase Class A PenP from Bacillus subtilis in the Complex with the Non-beta- lactam Beta-lactamase Inhibitor Avibactam
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-04-10 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97935 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.681, 85.456, 70.360 |
| Unit cell angles | 90.00, 94.97, 90.00 |
Refinement procedure
| Resolution | 27.100 - 1.500 |
| R-factor | 0.1627 |
| Rwork | 0.161 |
| R-free | 0.19850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 6NI1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.864 |
| 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 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.060 | 0.890 |
| Number of reflections | 71543 | 3249 |
| <I/σ(I)> | 23.3 | 1.41 |
| Completeness [%] | 95.4 | 86.3 |
| Redundancy | 4.4 | 3.5 |
| CC(1/2) | 0.528 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.8 | 289 | 50 mM Bicine pH 8.8, 2.9 %(v/v), 25.7 %(w/v) PEG2000 |
