2RKI
Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with a triazole derived NNRTI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 118.391, 154.167, 154.488 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.880 - 2.300 |
| Rwork | 0.216 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vrt |
| RMSD bond length | 0.155 |
| RMSD bond angle | 1.700 |
| 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 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.072 | 0.514 |
| Number of reflections | 60843 | |
| <I/σ(I)> | 17.1 | 2 |
| Completeness [%] | 98.1 | 83 |
| Redundancy | 5.4 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | protein was concentrated to 20mg/ml in 10mM Tris pH 7.0, 25mM KCl, 1mM DTT. Protein was mixed 1:1 with resevoir solution containing 1.3M ammonium sulfate, 0.1M sodium cacodylate pH 6.5, 0.05M sodium malontate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
