2FLE
Structural analysis of asymmetric inhibitor bound to the HIV-1 Protease V82A mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-22 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 |
Unit cell lengths | 62.195, 62.195, 82.752 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.770 - 1.900 |
R-factor | 0.207 |
Rwork | 0.199 |
R-free | 0.25050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hxw |
RMSD bond length | 0.009 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.075 | 0.486 |
Number of reflections | 14371 | |
<I/σ(I)> | 22.6 | 2.8 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.3 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 298 | 0.1 M Sodium Cacodylate pH 6.5, 0.2 M Magnesium Acetate tetrahydrate, 20% Polyethylene Glycol 8000. (Hampton Research Crystal Screen Solution #18), VAPOR DIFFUSION, temperature 298K |