4CDX
Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2012-10-22 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 599.690, 599.690, 599.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.980 - 2.800 |
| R-factor | 0.27 |
| Rwork | 0.270 |
| R-free | 0.27200 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| 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 | 583785 | |
| <I/σ(I)> | 1.83 | 0.57 |
| Completeness [%] | 67.4 | 66.5 |
| Redundancy | 1.9 | 1.8 |
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 |
