6PJF
HIV-1 Protease NL4-3 WT in Complex with LR2-44
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-12-19 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.342, 58.051, 61.548 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.478 - 1.940 |
R-factor | 0.2095 |
Rwork | 0.207 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dgx |
RMSD bond length | 0.004 |
RMSD bond angle | 0.699 |
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 | 2.089 |
High resolution limit [Å] | 1.940 | 1.940 |
Number of reflections | 14151 | 2730 |
<I/σ(I)> | 33.3 | |
Completeness [%] | 99.8 | |
Redundancy | 6.6 |
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 |