6PJB
HIV-1 Protease NL4-3 WT in Complex with Lopinavir
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-03-27 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.424, 57.769, 62.285 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.190 - 1.984 |
R-factor | 0.1987 |
Rwork | 0.197 |
R-free | 0.22470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dgx |
RMSD bond length | 0.003 |
RMSD bond angle | 0.537 |
Data scaling software | HKL-3000 (v703x) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12-2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.137 |
High resolution limit [Å] | 1.980 | 1.984 |
Number of reflections | 13342 | 2582 |
<I/σ(I)> | 20.6 | |
Completeness [%] | 99.7 | |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 23-27% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5 |