3ZYE
Crystal structure of 3C protease mutant (T68A) of coxsackievirus B3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.730, 64.440, 39.810 |
| Unit cell angles | 90.00, 115.78, 90.00 |
Refinement procedure
| Resolution | 34.550 - 1.850 |
| R-factor | 0.22345 |
| Rwork | 0.222 |
| R-free | 0.25848 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zyd |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.894 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.850 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.040 | 0.490 |
| Number of reflections | 14693 | |
| <I/σ(I)> | 12.7 | 2.2 |
| Completeness [%] | 98.3 | 99.4 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 100 MM TRIS-HCL PH 8.5, 0.2 M MAGNESIUM CHLORIDE, AND 22% PEG 4000; SITTING DROP |
