3O9D
Crystal Structure of wild-type HIV-1 Protease in complex with kd19
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-02-20 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.708, 57.600, 61.718 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.190 - 1.850 |
| R-factor | 0.17657 |
| Rwork | 0.174 |
| R-free | 0.22613 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ? |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.372 |
| 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 | 1.880 |
| High resolution limit [Å] | 1.850 | 5.020 | 1.850 |
| Rmerge | 0.060 | 0.040 | 0.346 |
| Number of reflections | 15998 | ||
| <I/σ(I)> | 12.1 | ||
| Completeness [%] | 99.7 | 98.8 | 97 |
| Redundancy | 7 | 6.5 | 6.2 |
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 |
