9H0H
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1-OPABACTIN-HAB1 TERNARY COMPLEX
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.973, 63.896, 187.872 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.830 - 1.660 |
| R-factor | 0.1926 |
| Rwork | 0.191 |
| R-free | 0.22560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.693 |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2-3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.830 | 1.720 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Number of reflections | 581424 | 128 |
| <I/σ(I)> | 11.9 | |
| Completeness [%] | 93.0 | |
| Redundancy | 12.9 | |
| CC(1/2) | 0.997 | 0.492 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7 | 295 | 0.5M CaCl2, 0.1 M B-T pH 7.0, 25% PEG 3350 |
