3SPK
Tipranavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Detector technology | CCD |
| Collection date | 2010-11-18 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 61 |
| Unit cell lengths | 63.119, 63.119, 83.540 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.523 - 1.240 |
| R-factor | 0.17658 |
| Rwork | 0.174 |
| R-free | 0.22702 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.368 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 29.523 |
| High resolution limit [Å] | 1.200 |
| Rmerge | 0.084 |
| Number of reflections | 51613 |
| <I/σ(I)> | 3.43 |
| Completeness [%] | 99.9 |
| Redundancy | 9.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.1M MES and 2.4M ammonium sulfate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
