6DH6
Crystal structure of HIV-1 Protease NL4-3 I50V Mutant in complex with darunavir
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-06-11 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.148, 57.990, 62.142 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.555 - 1.970 |
R-factor | 0.1774 |
Rwork | 0.175 |
R-free | 0.22190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ll3 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.690 |
Data scaling software | HKL-3000 (703x) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12-2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.555 | 2.123 |
High resolution limit [Å] | 1.970 | 1.970 |
Number of reflections | 13416 | |
<I/σ(I)> | 11.3 | |
Completeness [%] | 98.5 | |
Redundancy | 10.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 23-24% (w/v) Ammonium Sulfate, 0.1M Bis-Tris-Methane-HCl Buffer pH 5.5 |