4TSX
HIV-1 Integrase Catalytic Core Domain Mutant Complexed with Allosteric Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-09-24 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 72.248, 72.248, 66.032 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.940 |
| R-factor | 0.1931 |
| Rwork | 0.190 |
| R-free | 0.22100 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.735 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
| High resolution limit [Å] | 1.940 | 5.260 | 1.940 |
| Rmerge | 0.054 | 0.039 | 0.445 |
| Total number of observations | 73892 | ||
| Number of reflections | 15117 | ||
| <I/σ(I)> | 24.9 | 4.22 | |
| Completeness [%] | 99.9 | 99.6 | 100 |
| Redundancy | 4.9 | 4.6 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277.5 | 8% PEG8000, 0.1 M Na Cacodylate, pH 6.5, 0.1 M Ammonium Sulphate |
