8XGA
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)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 | 125.689, 108.008, 159.816 |
| Unit cell angles | 90.00, 104.59, 90.00 |
Refinement procedure
| Resolution | 74.279 - 3.537 |
| R-factor | 0.2024 |
| Rwork | 0.199 |
| R-free | 0.28040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.058 |
| 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] | 154.660 | 3.730 |
| High resolution limit [Å] | 3.537 | 3.540 |
| Rmerge | 0.135 | 0.468 |
| Rmeas | 0.160 | 0.557 |
| Rpim | 0.085 | 0.299 |
| Total number of observations | 20869 | |
| Number of reflections | 48967 | 6301 |
| <I/σ(I)> | 5.4 | 2.1 |
| Completeness [%] | 96.3 | |
| Redundancy | 3.4 | 3.3 |
| CC(1/2) | 0.988 | 0.830 |
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 |
