3I0S
crystal structure of HIV reverse transcriptase in complex with inhibitor 7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-03 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 119.608, 154.692, 155.817 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.700 |
| R-factor | 0.23466 |
| Rwork | 0.232 |
| R-free | 0.28467 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2rf2 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.332 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.098 | 0.472 |
| Number of reflections | 39946 | |
| <I/σ(I)> | 12.9 | 2.1 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 298 | sodium citrate, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
