2GTB
Crystal structure of SARS coronavirus main peptidase (with an additional Ala at the N-terminus of each protomer) inhibited by an aza-peptide epoxide in the space group P43212
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Detector technology | CCD |
| Collection date | 2004-08-25 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.116 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 70.087, 70.087, 103.862 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.000 |
| R-factor | 0.20031 |
| Rwork | 0.196 |
| R-free | 0.26971 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.064 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 18098 | |
| Completeness [%] | 99.8 | 99.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 50mM ammonium acetate, 6% PEG 8000, 3% ethylene glycol, 1mM dithiothreitol, 0.1 MES (pH 6.5), VAPOR DIFFUSION, HANGING DROP, temperature 298K |
