5K14
HIV-1 Reverse Transcriptase in complex with a 2,6-difluorophenyl DAPY analog
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 | 2014-12-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97741 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 118.753, 154.577, 153.797 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.268 - 2.402 |
R-factor | 0.2068 |
Rwork | 0.205 |
R-free | 0.26140 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.205 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.450 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.052 | 0.630 |
Number of reflections | 58564 | |
<I/σ(I)> | 28.7 | 2.4 |
Completeness [%] | 96.6 | 98.2 |
Redundancy | 5.5 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 1.0M K/Na tartrate 100mM MES pH 6.0 |