9SGE
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH A MONOBACTAM (Aztreonam)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-09 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.965459 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 96.306, 147.180, 98.117 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.904 - 1.647 |
| Rwork | 0.173 |
| R-free | 0.18980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.294 |
| Data reduction software | XDS (20230630) |
| Data scaling software | XSCALE (20230630) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.910 | 1.760 |
| High resolution limit [Å] | 1.647 | 1.647 |
| Number of reflections | 82070 | 12682 |
| <I/σ(I)> | 8.03 | 0.55 |
| Completeness [%] | 98.7 | 95.5 |
| Redundancy | 4.7 | 4.5 |
| CC(1/2) | 0.996 | 0.202 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 50MM HEPES PH 7.2, 3M NACL, 0.6-0.9M AMMONIUM SULFATE |
