5YOK
Structure of HIV-1 Protease in Complex with Inhibitor KNI-1657
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-06 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.800 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 58.250, 85.948, 46.529 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.600 - 0.850 |
Rwork | 0.103 |
R-free | 0.12500 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.016 |
RMSD bond angle | 2.130 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | SHELXL |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.600 | 0.880 |
High resolution limit [Å] | 0.850 | 0.850 |
Rmerge | 0.062 | 0.331 |
Number of reflections | 200529 | |
<I/σ(I)> | 50.4 | 3 |
Completeness [%] | 97.9 | 89.8 |
Redundancy | 11.1 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 126mM phosphate buffer at pH 5.0, 63mM sodium citrate |