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 |