4GHT
Crystal structure of EV71 3C proteinase in complex with AG7088
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-08-08 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.885, 64.254, 75.811 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.850 - 1.960 |
| R-factor | 0.2086 |
| Rwork | 0.205 |
| R-free | 0.27940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ghq |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.906 |
| Data reduction software | AUTOMAR |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.111 | 0.493 |
| Number of reflections | 23064 | |
| <I/σ(I)> | 3.7 | 0.8 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.47 | 6.56 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289 | 100mM Tris, 25% PEG4000, 0.8M lithium chloride, pH 8.5, vapor diffusion, hanging drop, temperature 289K |
