6O48
Wild-type HIV-1 protease in complex with a substrate analog CA-p2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-10-07 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 58.407, 86.244, 46.581 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.460 |
Rwork | 0.188 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2aod |
RMSD bond length | 0.009 |
RMSD bond angle | 0.027 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | SHELXL (1997) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.510 |
High resolution limit [Å] | 1.460 | 1.460 |
Rmerge | 0.090 | 0.438 |
Number of reflections | 38064 | 2696 |
<I/σ(I)> | 11 | 2 |
Completeness [%] | 91.9 | 66.5 |
Redundancy | 4.1 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 298 | 1M sodium chloride and 0.1M sodium acetate |