8FE8
Crystal Structure of HIV-1 RT in Complex with the non-nucleoside inhibitor 18b1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.03317 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 162.076, 72.613, 108.426 |
| Unit cell angles | 90.00, 99.85, 90.00 |
Refinement procedure
| Resolution | 29.640 - 2.500 |
| R-factor | 0.2382 |
| Rwork | 0.236 |
| R-free | 0.27710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.567 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.640 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.291 | |
| Rmeas | 0.306 | 15.493 |
| Rpim | 0.093 | 4.845 |
| Number of reflections | 43179 | 4507 |
| <I/σ(I)> | 9.4 | 1.1 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 21.1 | 21 |
| CC(1/2) | 0.984 | 0.652 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 10%(v/v) PEG 8000, 4%(v/v) PEG 400, 100 mM MES pH 6.3-6.6, 10 mM spermine, 15 mM MgSO4, 100 mM ammonium sulfate, and 5 mM tris(2-carboxyethyl)phosphine |
