3DRR
HIV reverse transcriptase Y181C mutant in complex with inhibitor R8e
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 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 118.930, 154.680, 154.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.890 |
| R-factor | 0.1874 |
| Rwork | 0.183 |
| R-free | 0.26940 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2rf2 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.366 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | BUSTER-TNT (2.1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.890 | 2.890 |
| Number of reflections | 32015 | |
| <I/σ(I)> | 22 | 3.5 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 5 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 298 | sodium sitrate , pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
