1IKY
HIV-1 Reverse Transcriptase in Complex with the Inhibitor MSC194
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 279 |
Detector technology | IMAGE PLATE |
Collection date | 1999-07-11 |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 120.340, 156.540, 156.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.780 - 3.000 |
R-factor | 0.208 * |
Rwork | 0.214 |
R-free | 0.27300 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.750 | 3.080 |
High resolution limit [Å] | 2.940 | 2.930 |
Rmerge | 0.114 | 0.219 |
Total number of observations | 261528 * | |
Number of reflections | 27395 | 1170 * |
<I/σ(I)> | 5.7 | |
Completeness [%] | 85.9 | 73.6 * |
Redundancy | 5.8 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7.2 | 294 | Ammonium Sulphate, Potassium chloride, HEPES, Magnesium Chloride, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20 (mg/ml) | |
2 | 1 | drop | DMSO | 30 (mM) | |
3 | 1 | reservoir | ammonium sulfate | 1.4 (M) | |
4 | 1 | reservoir | HEPES | 50 (mM) | pH7.2 |
5 | 1 | reservoir | 5 (mM) | ||
6 | 1 | reservoir | 300 (mM) |