2HNY
Crystal Structure of E138K Mutant HIV-1 Reverse Transcriptase in Complex with Nevirapine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-09-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.82657 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 139.600, 115.000, 65.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.940 - 2.500 |
| R-factor | 0.214 |
| Rwork | 0.214 |
| R-free | 0.28400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.098 | 0.687 |
| Number of reflections | 37104 | |
| <I/σ(I)> | 12.6 | 1.1 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 6.8 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
