3MEE
HIV-1 Reverse Transcriptase in Complex with TMC278
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-25 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 119.568, 154.923, 153.501 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.930 - 2.400 |
| R-factor | 0.224 |
| Rwork | 0.222 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sv5 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNX (2005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.450 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.059 | 0.469 |
| Number of reflections | 54926 | |
| <I/σ(I)> | 15.9 | 2.8 |
| Completeness [%] | 98.2 | 98 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.4M ammonium sulfate, 100mM cacodylate, 30mM sodium malonate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
