2ZU5
complex structure of SARS-CoV 3CL protease with TG-0205486
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL17B2 |
Synchrotron site | NSRRC |
Beamline | BL17B2 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-03-20 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 108.690, 81.270, 53.290 |
Unit cell angles | 90.00, 104.49, 90.00 |
Refinement procedure
Resolution | 26.250 - 1.650 |
Rwork | 0.183 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1z1i |
RMSD bond length | 0.020 |
RMSD bond angle | 1.970 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.770 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.047 | 0.369 |
Number of reflections | 51828 | |
<I/σ(I)> | 16.63 | 2.13 |
Completeness [%] | 95.9 | |
Redundancy | 2.1 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | VAPOR DIFFUSION, SITTING DROP |