9Q65
Human prolyl endopeptidase (PREP) - complex with KT-2-75
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979338 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 105.522, 65.986, 159.330 |
| Unit cell angles | 90.00, 100.47, 90.00 |
Refinement procedure
| Resolution | 34.600 - 1.890 |
| Rwork | 0.218 |
| R-free | 0.29540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.058 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430 (refmacat 0.4.100)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.600 | 2.080 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.370 | 1.447 |
| Rmeas | 0.399 | 1.558 |
| Rpim | 0.149 | 0.576 |
| Number of reflections | 121039 | 6052 |
| <I/σ(I)> | 4.6 | |
| Completeness [%] | 91.7 | 58.1 |
| Redundancy | 7.1 | 7.3 |
| CC(1/2) | 0.980 | 0.220 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5 |
