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 |