1QS4
Core domain of HIV-1 integrase complexed with Mg++ and 1-(5-chloroindol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)-propenone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 95 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-01-01 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.233, 46.735, 141.361 |
| Unit cell angles | 90.00, 105.55, 90.00 |
Refinement procedure
| Resolution | 38.070 - 2.100 |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.25500 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.190 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.051 | 0.274 |
| Number of reflections | 26564 | |
| <I/σ(I)> | 10.4 | |
| Completeness [%] | 94.2 | 81 * |
| Redundancy | 2.12 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 * | Goldgur, Y., (1998) Proc. Natl. Acad. Sci. U.S.A., 95, 9150. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 2.5 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | |
| 3 | 1 | drop | 0.5 (M) | ||
| 4 | 1 | drop | EDTA | 1 (mM) | |
| 5 | 1 | drop | dithiothreitol | 5 (mM) | |
| 6 | 1 | reservoir | PEG4000 | 30 (%) | |
| 7 | 1 | reservoir | HEPES | 100 (mM) | |
| 8 | 1 | reservoir | 5 (mM) | ||
| 9 | 1 | reservoir | dithiothreitol | 5 (mM) |
