9YHH
Crystal structure of Chikungunya virus nsP3 macrodomain N24A mutant (P31 crystal form) in complex with ADP-ribose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-30 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.11582 |
| Spacegroup name | P 31 |
| Unit cell lengths | 87.603, 87.603, 85.360 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.800 - 1.370 |
| R-factor | 0.1494 |
| Rwork | 0.147 |
| R-free | 0.18830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.018 |
| Data reduction software | XDS (Jan 19, 2025 BUILT=20250430) |
| Data scaling software | XDS (Jan 19, 2025 BUILT=20250430) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.800 | 1.390 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Rmerge | 0.046 | 1.357 |
| Rmeas | 0.051 | 1.545 |
| Rpim | 0.022 | 0.731 |
| Total number of observations | 762975 | 32052 |
| Number of reflections | 153815 | 7493 |
| <I/σ(I)> | 17 | 0.9 |
| Completeness [%] | 99.8 | |
| Redundancy | 5 | 4.3 |
| CC(1/2) | 0.999 | 0.353 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 292 | 0.095 M citrate pH 5.6, 19% iso-Propanol, 19% PEG 4000, 5% Glycerol |
