9Q64
Human prolyl endopeptidase (PREP) - complex with KT-2-59
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 | 2024-07-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979340 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 105.888, 67.026, 157.386 |
| Unit cell angles | 90.00, 99.41, 90.00 |
Refinement procedure
| Resolution | 34.100 - 1.940 |
| R-factor | 0.15933 |
| Rwork | 0.155 |
| R-free | 0.23309 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.674 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.100 | 2.120 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.125 | 0.967 |
| Rmeas | 0.144 | 1.080 |
| Rpim | 0.070 | 0.474 |
| Number of reflections | 112416 | 5622 |
| <I/σ(I)> | 7.7 | 1.7 |
| Completeness [%] | 86.2 | 42.4 |
| Redundancy | 4.1 | |
| CC(1/2) | 1.000 | 0.540 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 25-30% PEG 3350, 200 mM KSCN and 100 mM bis-tris propane pH 7.5 |
