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 |
