9DA2
Crystal structure of human DNPH1 bound to inhibitor 1b
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 | 2023-12-13 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 60.538, 64.768, 128.758 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.470 - 1.130 |
| R-factor | 0.167 |
| Rwork | 0.166 |
| R-free | 0.18430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.386 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.470 | 1.150 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Rmerge | 0.062 | 0.653 |
| Rmeas | 0.067 | 0.741 |
| Rpim | 0.024 | 0.344 |
| Total number of observations | 671663 | 19562 |
| Number of reflections | 94224 | 4483 |
| <I/σ(I)> | 14.5 | 1.9 |
| Completeness [%] | 99.8 | |
| Redundancy | 7.1 | 4.4 |
| CC(1/2) | 0.997 | 0.794 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 292 | 20% (w/v) PEG 3350 and 0.2 M Magnesium sulfate |
