3FZD
Mutation of Asn28 disrupts the enzymatic activity and dimerization of SARS 3CLpro
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-15 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 105.875, 44.823, 54.172 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.850 - 2.350 |
| R-factor | 0.218 |
| Rwork | 0.214 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bx4 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.123 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.430 |
| High resolution limit [Å] | 2.350 | 5.060 | 2.350 |
| Rmerge | 0.073 | 0.039 | 0.578 |
| Number of reflections | 11284 | ||
| Completeness [%] | 99.9 | 99.8 | 99.6 |
| Redundancy | 5.3 | 4.9 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 1.0 M sodium malonate (pH 7.0), 5-6% isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
