2O4S
Crystal Structure of HIV-1 Protease (Q7K) in Complex with Lopinavir
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-02-27 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.008 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 59.707, 85.417, 46.233 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.700 - 1.540 |
R-factor | 0.184 |
Rwork | 0.181 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.700 | 1.577 |
High resolution limit [Å] | 1.540 | 1.537 |
Rmerge | 0.093 | 0.702 |
Number of reflections | 35654 | |
<I/σ(I)> | 13.6 | 3.04 |
Completeness [%] | 99.3 | 91.54 |
Redundancy | 5.2 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.5 M NaCl, 100 mM citrate buffer pH 5.4-5.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |