8PTS
human GUK1 in complex with compound AT8001
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.88560 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 132.773, 54.273, 58.957 |
| Unit cell angles | 90.00, 108.79, 90.00 |
Refinement procedure
| Resolution | 62.849 - 1.760 |
| R-factor | 0.2497 |
| Rwork | 0.248 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | MoRDa |
| Refinement software | BUSTER (2.10.4 (17-FEB-2023)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.849 | 1.793 |
| High resolution limit [Å] | 1.760 | 1.763 |
| Rmerge | 0.055 | 0.699 |
| Rmeas | 0.063 | 0.796 |
| Rpim | 0.029 | 0.371 |
| Number of reflections | 37848 | 1925 |
| <I/σ(I)> | 9.7 | 2.2 |
| Completeness [%] | 96.0 | 96.2 |
| Redundancy | 4.2 | 4.3 |
| CC(1/2) | 0.998 | 0.825 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 12 -17 % PEG330 66mM Na Cacodylate 33mM MES 66mM MgCl2 |
