2YKN
Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a Difluoromethylbenzoxazole (DFMB) Pyrimidine Thioether derivative, a non-nucleoside RT inhibitor (NNRTI)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-11 |
| Detector | MARRESEARCH SX-165 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 119.046, 155.576, 152.764 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.120 |
| R-factor | 0.23003 |
| Rwork | 0.227 |
| R-free | 0.27909 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | REVERSE TRANSCRIPTASE |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.235 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.450 | 2.210 |
| High resolution limit [Å] | 1.750 | 2.100 |
| Rmerge | 0.070 | 0.470 |
| Number of reflections | 74751 | |
| <I/σ(I)> | 7.6 | 1.7 |
| Completeness [%] | 91.0 | 75 |
| Redundancy | 5.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
