8QCH
Human Adenosine deaminase-like protein in complex with compound AT8001
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-07 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 142.757, 142.983, 156.399 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 105.530 - 2.442 |
| R-factor | 0.2157 |
| Rwork | 0.214 |
| R-free | 0.24310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.900 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | MoRDa |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 105.752 | 2.484 |
| High resolution limit [Å] | 2.442 | 2.442 |
| Rmerge | 0.363 | 3.973 |
| Rmeas | 0.383 | 4.180 |
| Rpim | 0.119 | 1.289 |
| Number of reflections | 119069 | 5876 |
| <I/σ(I)> | 7.2 | 1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.2 | 10.5 |
| CC(1/2) | 0.988 | 0.350 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 2000 mM Ammonium sulfate 100 mM Sodium cacodylate/HCl 200 mM Sodium chloride |
