1EP4
Crystal structure of HIV-1 reverse transcriptase in complex with S-1153
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1998-09-06 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 135.700, 118.000, 67.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.500 |
R-factor | 0.242 |
Rwork | 0.254 |
R-free | 0.33000 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.540 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.051 | 0.160 |
Total number of observations | 108379 * | |
Number of reflections | 35008 | |
<I/σ(I)> | 19.7 | |
Completeness [%] | 90.9 | 86.2 |
Redundancy | 3.1 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 4 * | see reference 12, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | enzyme | 26 (mg/ml) | |
2 | 1 | drop | PEG3400 | 6 (%(w/v)) | |
3 | 1 | reservoir | PEG3400 | 6 (%(w/v)) | |
4 | 1 | drop | citrate/phosphate |