1S6Q
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R147681
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.921 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 228.300, 69.600, 105.300 |
| Unit cell angles | 90.00, 106.30, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.000 |
| R-factor | 0.246 |
| Rwork | 0.246 |
| R-free | 0.29400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.050 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.096 | 0.325 |
| Number of reflections | 30428 | |
| Completeness [%] | 94.8 | 78.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | pH 6.80 |
