2ZU1
crystal structure of CVB3 3C protease mutant C147A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-20 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.010, 64.690, 68.660 |
| Unit cell angles | 90.00, 91.19, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.380 |
| R-factor | 0.1674 |
| Rwork | 0.166 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ztx |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.924 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.430 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.063 | 0.578 |
| Number of reflections | 69121 | |
| <I/σ(I)> | 19.9 | 2.1 |
| Completeness [%] | 99.1 | 96.8 |
| Redundancy | 3.3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 286 | 24~30% PEG 4000, 0.2M magnesium chloride, 0.1M Tris-HCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 286 K |
