6W6R
WT HTLV-1 Protease in Complex with UMass6 (UM6)
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 | 77.897, 77.897, 160.081 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.850 - 2.050 |
R-factor | 0.2216 |
Rwork | 0.221 |
R-free | 0.24250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wsj |
RMSD bond length | 0.012 |
RMSD bond angle | 1.412 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.851 | 2.123 |
High resolution limit [Å] | 2.050 | 2.050 |
Rpim | 0.036 | 1.253 |
Number of reflections | 173500 | 15456 |
<I/σ(I)> | 12.24 | 0.74 |
Completeness [%] | 99.8 | |
Redundancy | 9.2 | |
CC(1/2) | 0.999 | 0.233 |
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 |