5OI8
Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-25 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 72.664, 72.664, 66.174 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 62.930 - 2.350 |
R-factor | 0.18711 |
Rwork | 0.184 |
R-free | 0.24367 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lh4 |
RMSD bond length | 0.017 |
RMSD bond angle | 2.003 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 62.930 |
High resolution limit [Å] | 2.000 |
Number of reflections | 13944 |
<I/σ(I)> | 28.4 |
Completeness [%] | 99.0 |
Redundancy | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 297 | Ammonium sulfate, cacodylate |