7F0M
Crystal Structure of human Pin1 complexed with a potent covalent inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.259, 73.685, 87.885 |
| Unit cell angles | 90.00, 101.05, 90.00 |
Refinement procedure
| Resolution | 29.610 - 1.900 |
| R-factor | 0.2164 |
| Rwork | 0.215 |
| R-free | 0.24750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ntp |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.610 | 1.968 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.062 | 0.278 |
| Number of reflections | 53567 | 5323 |
| <I/σ(I)> | 16.83 | 5.5 |
| Completeness [%] | 99.6 | |
| Redundancy | 5.8 | 5.9 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289.15 | 30% PEG400, 100mM Tris, pH 8.0 |
