1IKX
K103N Mutant HIV-1 Reverse Transcriptase in Complex with the Inhibitor PNU142721
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 270 |
Detector technology | IMAGE PLATE |
Collection date | 2000-02-12 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0159 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 119.900, 156.400, 156.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.630 - 2.800 |
R-factor | 0.21 * |
Rwork | 0.210 |
R-free | 0.27400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.630 | 23.630 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.075 | 0.374 |
Total number of observations | 289120 * | |
Number of reflections | 32921 | 3306 * |
<I/σ(I)> | 12.2 | |
Completeness [%] | 81.3 | 92.3 * |
Redundancy | 90.2 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7.2 | 295 | Ammonium sulphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
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) |