9H0J
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1 5M (V112L, T135L, F137I, T153I, V168A)-iCB-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 | 43.245, 62.933, 186.327 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.150 - 1.960 |
| R-factor | 0.1758 |
| Rwork | 0.174 |
| R-free | 0.20880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.712 |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2-3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.150 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Number of reflections | 476303 | 3663 |
| <I/σ(I)> | 17.7 | |
| Completeness [%] | 97.6 | |
| Redundancy | 13 | |
| CC(1/2) | 0.998 | 0.826 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7 | 295 | 0.5 M CaCl2, 0.1 M B-T pH 7.0, 25% PEG 3350 |
