4CDU
Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2011-12-20 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 599.681, 599.681, 599.681 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.970 - 2.800 |
| R-factor | 0.278 |
| Rwork | 0.278 |
| R-free | 0.28200 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (1.3) |
| Refinement software | CNS (1.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.540 | |
| Number of reflections | 599486 | |
| <I/σ(I)> | 1.46 | 0.48 |
| Completeness [%] | 69.2 | 30 |
| Redundancy | 2.1 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 30% PEG400, 0.2 M TRI-SODIUM CITRATE, 0.1 M TRIS.HCL PH 8.5, MIXED WITH VIRUS AND EQUILIBRATED AGAINST SALT RESERVOIR, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K |
