9RTP
Crystal structure of NUDT7 in complex with a novel inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-11-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 123.808, 123.808, 40.856 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.860 - 1.470 |
| R-factor | 0.1629 |
| Rwork | 0.162 |
| R-free | 0.17970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.790 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.860 | 1.523 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Number of reflections | 61166 | 61200 |
| <I/σ(I)> | 18.9 | 0.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 19.9 | |
| CC(1/2) | 1.000 | 0.400 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M bis-tris pH5.5 0.1M ammonium acetate 11% (w/v) PEG10k |
