6W6Q
WT HTLV-1 Protease in Complex with Darunavir (DRV)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.07812 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 78.499, 78.499, 160.560 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.052 - 2.100 |
R-factor | 0.2308 |
Rwork | 0.229 |
R-free | 0.26360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wsj |
RMSD bond length | 0.006 |
RMSD bond angle | 0.907 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.100 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.094 | 1.996 |
Rpim | 0.034 | 0.676 |
Number of reflections | 17823 | 16621 |
<I/σ(I)> | 12.61 | 1.16 |
Completeness [%] | 99.8 | |
Redundancy | 9.1 | |
CC(1/2) | 0.998 | 0.366 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 293 | 39-41% (v/v) PEG 300, 0.1M Phosphate/Citrate Buffer pH 4.2 |