3O9H
Crystal Structure of wild-type HIV-1 Protease in complex with kd26
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-06-04 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.735, 57.634, 61.795 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.220 - 1.700 |
R-factor | 0.16835 |
Rwork | 0.166 |
R-free | 0.20849 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | ? |
RMSD bond length | 0.008 |
RMSD bond angle | 1.502 |
Data reduction software | DENZO |
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 | 1.760 |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.062 | 0.035 | 0.381 |
Number of reflections | 20447 | ||
<I/σ(I)> | 13 | ||
Completeness [%] | 99.4 | 99.2 | 95.2 |
Redundancy | 5.5 | 5.7 | 3.6 |
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 |