7VXY
Zika virus NS2B/NS3 protease bZipro(C143S) in complex with D-RKOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 59.574, 59.574, 213.809 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.708 - 1.901 |
| R-factor | 0.2057 |
| Rwork | 0.203 |
| R-free | 0.25140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lc0 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.762 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.7.17) |
| Refinement software | PHENIX (1.17.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.163 | 0.107 | 0.669 |
| Rmeas | 0.167 | 0.109 | 0.686 |
| Rpim | 0.035 | 0.023 | 0.144 |
| Total number of observations | 650874 | ||
| Number of reflections | 31082 | 1810 | 1473 |
| <I/σ(I)> | 4.3 | ||
| Completeness [%] | 98.5 | 100 | 95 |
| Redundancy | 20.9 | 21.4 | 19.7 |
| CC(1/2) | 0.998 | 0.944 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.2M ammonium sulfate, 30% polyethylene glycol monomethyl ether 2000, 0.1M sodium acetate trihydrate |
