6TSD
Crystal structure of human coxsackievirus A24v in complex with pentavalent inhibitor ME0752
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-14 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97625 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 305.475, 365.351, 366.484 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.955 - 1.810 |
| Rwork | 0.150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4q4w |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.381 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0232 2018/13/08) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Number of reflections | 14074225 | 2244009 |
| <I/σ(I)> | 8.18 | |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 7.71 | |
| CC(1/2) | 0.993 | 0.679 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 200 mM Magnesium chloride, 3.4 M 1,6-Hexanediol, 100 mM HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
