3TTP
Structure of multiresistant HIV-1 protease in complex with darunavir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-10-10 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.53 |
| Spacegroup name | P 61 |
| Unit cell lengths | 61.660, 61.660, 83.070 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.700 - 2.230 |
| R-factor | 0.19995 |
| Rwork | 0.197 |
| R-free | 0.26546 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.594 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.440 | 2.330 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.070 | 0.448 |
| Number of reflections | 8860 | |
| <I/σ(I)> | 14.3 | |
| Completeness [%] | 97.8 | 85.3 |
| Redundancy | 4.3 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.1 | 292 | 0.4M NaCl, 0.1M sodium acetate, pH 4.1, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
