4WY3
Structure of SARS-3CL protease complex with a phenylbenzoyl (R,S)-N-decalin type inhibitor
Replaces: 4TWXExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-17 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.900 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 108.106, 81.820, 53.243 |
Unit cell angles | 90.00, 104.69, 90.00 |
Refinement procedure
Resolution | 30.620 - 1.890 |
R-factor | 0.27496 |
Rwork | 0.274 |
R-free | 0.29891 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3atw |
Data reduction software | SCALEPACK |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.074 | |
Number of reflections | 49270 | |
<I/σ(I)> | 9.4 | 0.8 |
Completeness [%] | 99.0 | 98.4 |
Redundancy | 4.1 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 10%(w/v) PEG20000, 100mM MES, 5 mM DTT |