9FXG
Crystal structure of double mutant Y115E Y117E human Glutaminyl Cyclase in apo-state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-03 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 86.281, 149.309, 95.711 |
| Unit cell angles | 90.00, 96.96, 90.00 |
Refinement procedure
| Resolution | 58.700 - 1.960 |
| R-factor | 0.21048 |
| Rwork | 0.208 |
| R-free | 0.25717 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.543 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.700 | 2.000 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.102 | 0.286 |
| Rmeas | 0.136 | 0.389 |
| Rpim | 0.090 | 0.263 |
| Number of reflections | 80418 | 4597 |
| <I/σ(I)> | 6.2 | 2.7 |
| Completeness [%] | 93.8 | 94.5 |
| Redundancy | 2.8 | 2.6 |
| CC(1/2) | 0.983 | 0.860 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 281 | 0.2 M ammonium sulphate and 0.1 M MES, pH 6.0 |
