7WYL
Structure of the EV71 3Cpro with 337 inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-18 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.28284 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.767, 70.497, 86.001 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.590 - 1.310 |
R-factor | 0.2216 |
Rwork | 0.221 |
R-free | 0.23970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3r0f |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.590 | 3.890 |
High resolution limit [Å] | 1.300 | 1.300 |
Number of reflections | 159196 | 23216 |
<I/σ(I)> | 12.22 | |
Completeness [%] | 92.5 | |
Redundancy | 2.83 | |
CC(1/2) | 0.998 | 0.918 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 296 | 6%Tacsimate PH 7.0, 14% 3350 |