3OGP
Crystal Structure of 6s-98S FIV Protease with Darunavir bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-22 |
| Detector | MARmosaic325 |
| Wavelength(s) | 0.97945 |
| Spacegroup name | P 31 |
| Unit cell lengths | 81.170, 81.170, 33.590 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.000 - 1.700 |
| R-factor | 0.1873 |
| Rwork | 0.185 |
| R-free | 0.22860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hah |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.285 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.15) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 27.000 | 26.569 | 1.790 |
| High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
| Rmerge | 0.037 | 0.346 | |
| Total number of observations | 2465 | 10421 | |
| Number of reflections | 27120 | ||
| <I/σ(I)> | 12.8 | 16.6 | 2.2 |
| Completeness [%] | 99.5 | 98 | 97.1 |
| Redundancy | 2.8 | 2.9 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | VAPOR DIFFUSION, HANGING DROP, temperature 277K |
