5GSO
Crystal Structures of EV71 3C Protease in complex with NK-1.8k
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-08 |
| Detector | RIGAKU SATURN 70 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 95.012, 70.691, 94.931 |
| Unit cell angles | 90.00, 118.24, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.600 |
| R-factor | 0.215 |
| Rwork | 0.211 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3osy |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.852 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 7.050 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.097 | 0.509 |
| Number of reflections | 32158 | |
| <I/σ(I)> | 10.4 | |
| Completeness [%] | 98.8 | |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 289 | 0.1M Tris-HCl, pH7.7, 200mM Sodium Citrate, 32% PEG 3350 |
