9Q13
Crystal Structure of WT HIV-1 Protease (NL4-3) with Inhibitor NR05-04
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-07-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 61 |
| Unit cell lengths | 62.363, 62.363, 82.305 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.810 - 1.720 |
| R-factor | 0.2167 |
| Rwork | 0.212 |
| R-free | 0.23740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.568 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.813 | 1.780 |
| High resolution limit [Å] | 1.716 | 1.720 |
| Rmerge | 0.022 | 0.261 |
| Number of reflections | 19143 | 3793 |
| <I/σ(I)> | 14.3 | 2.4 |
| Completeness [%] | 98.4 | 97.44 |
| Redundancy | 2 | 2 |
| CC(1/2) | 0.999 | 0.821 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 23-24% w/v ammonium sulfate, 0.1 M Bis-Tris-methane-HCl, pH 5.5 |
