9RFE
Human ADP-ribosylhydrolase 3 (ARH3) in complex with an inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-03 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.220, 66.020, 70.860 |
| Unit cell angles | 115.28, 96.39, 104.33 |
Refinement procedure
| Resolution | 35.995 - 1.850 |
| Rwork | 0.163 |
| R-free | 0.20290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.357 |
| Data reduction software | XDS (Jun 30, 2024) |
| Data scaling software | XSCALE (Jun 30, 2024) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.995 | 1.898 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.056 | 0.433 |
| Rmeas | 0.065 | 0.504 |
| Rpim | 0.033 | 0.257 |
| Number of reflections | 57348 | 3730 |
| <I/σ(I)> | 14.4 | 2.8 |
| Completeness [%] | 96.6 | 84.7 |
| Redundancy | 3.9 | 3.8 |
| CC(1/2) | 0.998 | 0.869 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 277 | 10% (w/v) PEG 4000, 10% (v/v) DMSO, 0.1 M ammonium sulfate, 0.1 M sodium acetate buffer |
