3I0R
crystal structure of HIV reverse transcriptase in complex with inhibitor 3
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 | 119.327, 155.308, 154.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.980 |
| R-factor | 0.22392 |
| Rwork | 0.220 |
| R-free | 0.29505 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2rf2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.499 |
| 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 | 3.110 |
| High resolution limit [Å] | 2.980 | 2.980 |
| Rmerge | 0.097 | 0.706 |
| Number of reflections | 29440 | |
| <I/σ(I)> | 20.7 | 2.29 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.2 | 8.3 |
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 |
