8VZ5
Structure of human PIN1 covalently derivatized with SuFEx compound
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-04-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 68.200, 68.200, 79.221 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 59.060 - 1.950 |
| R-factor | 0.2049 |
| Rwork | 0.203 |
| R-free | 0.24310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.834 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.060 | 1.990 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.268 | 3.736 |
| Rmeas | 0.276 | 3.860 |
| Rpim | 0.063 | 0.963 |
| Total number of observations | 363790 | |
| Number of reflections | 16008 | 1092 |
| <I/σ(I)> | 8.1 | 0.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 19.1 | 15.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 2.0 M ammonium sulfate, 0.1 M sodium HEPES, 1% v/v polyethylene glycol 400 |
