8XFV
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 195 |
| Detector technology | PIXEL |
| Collection date | 2023-06-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 126.279, 109.126, 159.537 |
| Unit cell angles | 90.00, 104.73, 90.00 |
Refinement procedure
| Resolution | 42.869 - 3.130 |
| R-factor | 0.2068 |
| Rwork | 0.205 |
| R-free | 0.28370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.800 |
| Data reduction software | HKL-3000 |
| Data scaling software | Aimless |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 154.290 | 3.300 |
| High resolution limit [Å] | 3.130 | 3.130 |
| Rmerge | 0.097 | 0.614 |
| Rmeas | 0.115 | 0.724 |
| Rpim | 0.062 | 0.380 |
| Total number of observations | 240337 | 38234 |
| Number of reflections | 70700 | 10747 |
| <I/σ(I)> | 11.2 | 2.4 |
| Completeness [%] | 95.3 | |
| Redundancy | 3.4 | 3.6 |
| CC(1/2) | 0.996 | 0.842 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 25%-28% PEG 3350, 0.1M HEPES, pH 7.5 |
