2A1E
High resolution structure of HIV-1 PR with TS-126
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-10-03 |
Detector | MARRESEARCH |
Wavelength(s) | 1.2 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 57.269, 84.956, 46.061 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.300 |
R-factor | 0.1558 |
Rwork | 0.156 |
R-free | 0.20130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1S6G |
RMSD bond length | 0.013 |
RMSD bond angle | 0.033 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 1.370 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.061 | 0.408 |
Number of reflections | 55106 | |
<I/σ(I)> | 10 | 2.5 |
Completeness [%] | 98.6 | 98.3 |
Redundancy | 2.7 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | ammonium sulfate, DMSO, sodium acetate, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |