5DP7
Crystal Structure of EV71 3C Proteinase in complex with compound 5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 64.203, 65.319, 76.443 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.310 - 2.080 |
R-factor | 0.2146 |
Rwork | 0.212 |
R-free | 0.25950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ghq |
RMSD bond length | 0.016 |
RMSD bond angle | 1.834 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.150 |
High resolution limit [Å] | 2.080 | 2.080 |
Rmerge | 0.237 | |
Number of reflections | 8789 | |
<I/σ(I)> | 8.4 | 2.9 |
Completeness [%] | 92.7 | 93.9 |
Redundancy | 2.6 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289 | 100mM Tris, 25% PEG4000, 0.8M lithium chloride |