9V6P
Human Pin1 (Peptidyl-prolyl cis-trans isomerase) catalytic domain in complex with a covalent inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-X |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2025-04-29 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.874, 36.381, 51.309 |
| Unit cell angles | 90.00, 100.75, 90.00 |
Refinement procedure
| Resolution | 34.930 - 1.990 |
| R-factor | 0.2124 |
| Rwork | 0.212 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.260 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.930 | 2.070 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.113 | |
| Rmeas | 0.122 | |
| Rpim | 0.046 | |
| Number of reflections | 14484 | 1179 |
| <I/σ(I)> | 15.77 | |
| Completeness [%] | 96.5 | 79.43 |
| Redundancy | 6.9 | 5.3 |
| CC(1/2) | 0.997 | 0.840 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | (NH4)2SO4 0.2 M, Sodium citrate 1.2 M,HEPES 100 mM |
