9DA3
Crystal structure of human DNPH1 bound to inhibitor 2a
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-30 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 60.972, 64.585, 128.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.850 - 1.510 |
| R-factor | 0.1818 |
| Rwork | 0.181 |
| R-free | 0.19820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.072 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.850 | 1.540 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Rmerge | 0.074 | 0.526 |
| Rmeas | 0.080 | 0.601 |
| Rpim | 0.029 | 0.284 |
| Total number of observations | 263117 | 5459 |
| Number of reflections | 38634 | 1441 |
| <I/σ(I)> | 13.4 | 2.2 |
| Completeness [%] | 96.9 | |
| Redundancy | 6.8 | 3.8 |
| CC(1/2) | 0.997 | 0.817 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 292 | 20% (w/v) PEG 3350 and 0.2 M Sodium malonate |
