3BGC
HIV-1 protease in complex with a benzyl decorated oligoamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-12-19 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 57.430, 85.724, 46.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.800 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.23000 |
| Structure solution method | AB INITIO |
| Starting model (for MR) | 2pqz |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.021 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.078 | 0.444 |
| Number of reflections | 21367 | |
| <I/σ(I)> | 16 | 2 |
| Completeness [%] | 97.4 | 97.6 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 3.0M NaCl, 0.1M Bis-Tris, pH6.5, VAPOR DIFFUSION, temperature 293K |
