6LKA
Crystal Structure of EV71-3C protease with a Novel Macrocyclic Compounds
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 | 2014-03-17 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.270, 64.641, 75.855 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.321 - 2.033 |
| R-factor | 0.2021 |
| Rwork | 0.196 |
| R-free | 0.25890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ght |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.017 |
| Data reduction software | AUTOMAR |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.110 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.069 | 0.426 |
| Number of reflections | 9989 | 892 |
| <I/σ(I)> | 6.2 | 1.1 |
| Completeness [%] | 95.1 | |
| Redundancy | 3.96 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 8.5 | 298 | PEG 4000 |
