6PJO
HIV-1 Protease NL4-3 WT in Complex with LR2-42
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-12-20 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.363, 58.556, 61.748 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.310 - 1.950 |
R-factor | 0.1912 |
Rwork | 0.189 |
R-free | 0.23870 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.719 |
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 | 2.100 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 13293 | 2467 |
<I/σ(I)> | 27.2 | |
Completeness [%] | 93.9 | |
Redundancy | 5.6 |
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 |