6VUQ
Crystal structure of CHIKV nsP3 macrodomain soaked with ADP-ribose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-08-20 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 |
| Unit cell lengths | 88.068, 88.068, 83.779 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 76.270 - 1.640 |
| R-factor | 0.189 |
| Rwork | 0.188 |
| R-free | 0.20630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gpg |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.210 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.290 | 1.730 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.052 | 0.610 |
| Number of reflections | 88999 | 6179 |
| <I/σ(I)> | 17.2 | 2.7 |
| Completeness [%] | 99.0 | |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 21-24% PEG 400, 0.1 M sodium citrate pH5.6, 10% isopropanol |
