3C6U
Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 22
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 | 2005-08-09 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 118.750, 154.200, 156.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.850 - 2.700 |
| R-factor | 0.1979 |
| Rwork | 0.194 |
| R-free | 0.27540 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2rf2 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.462 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | BUSTER |
| Refinement software | BUSTER-TNT (2.1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.086 | 0.561 |
| Number of reflections | 35005 | |
| <I/σ(I)> | 12.6 | 1 |
| Completeness [%] | 88.7 | 34.8 |
| Redundancy | 4.6 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 298 | sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
