9KMB
Crystal structure of human glutaminyl cyclase in complex with N-(2-(1H-imidazol-5-yl)ethyl)-4-methoxybenzenesulfonamide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 195 |
| Detector technology | PIXEL |
| Collection date | 2024-07-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 106.575, 147.170, 160.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.562 - 2.280 |
| R-factor | 0.2181 |
| Rwork | 0.216 |
| R-free | 0.26620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.339 |
| Data reduction software | autoPX |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.571 | 2.337 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmeas | 0.221 | |
| Rpim | 0.064 | 0.801 |
| Number of reflections | 57541 | 57529 |
| <I/σ(I)> | 15.56 | |
| Completeness [%] | 99.8 | |
| Redundancy | 17 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 32% to 35% PEG 8000, 0.1 M lithium sulphate, 0.05M sodium acetate(pH 4.5) |
