7VXX
Zika virus NS2B/NS3 protease bZipro(C143S) in complex with 4-amino benzamidine
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 | 2019-05-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 59.149, 59.149, 214.127 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.850 - 1.900 |
R-factor | 0.2052 |
Rwork | 0.203 |
R-free | 0.23980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lc0 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.7.17) |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.850 | 19.850 | 1.940 |
High resolution limit [Å] | 1.900 | 8.910 | 1.900 |
Rmerge | 0.101 | 0.037 | 1.592 |
Rmeas | 0.103 | 0.038 | 1.626 |
Rpim | 0.021 | 0.008 | 0.326 |
Total number of observations | 743617 | 7170 | 49779 |
Number of reflections | 31118 | 354 | 2029 |
<I/σ(I)> | 19.2 | 56.1 | 2.6 |
Completeness [%] | 99.9 | 91.6 | 100 |
Redundancy | 23.9 | 20.3 | 24.5 |
CC(1/2) | 1.000 | 1.000 | 0.909 |
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 |