3O9B
Crystal Structure of wild-type HIV-1 Protease in Complex with kd25
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.672, 57.921, 61.746 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.260 - 1.500 |
R-factor | 0.16637 |
Rwork | 0.165 |
R-free | 0.18898 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | ? |
RMSD bond length | 0.008 |
RMSD bond angle | 1.266 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 3.230 | 1.500 |
Rmerge | 0.067 | 0.036 | 0.368 |
Number of reflections | 29830 | ||
<I/σ(I)> | 11.7 | ||
Completeness [%] | 99.8 | 98.6 | 100 |
Redundancy | 7.8 | 7.1 | 7.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop, vapor diffusion | 6.2 | 295 | 126mM Phosphate buffer pH 6.2, 63mM Sodium Citrate, 24-29% Ammonium Sulfate, hanging drop, vapor diffusion, temperature 295K |