4FL8
HIV-1 protease complexed with gem-diol-amine tetrahedral intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.405, 86.199, 46.357 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.200 |
| R-factor | 0.1424 |
| Rwork | 0.142 |
| R-free | 0.17630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b7v |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.034 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.510 | 1.200 |
| Rmerge | 0.208 | 0.390 | |
| Number of reflections | 66347 | ||
| <I/σ(I)> | 12.3 | 2.2 | |
| Completeness [%] | 94.3 | 100 | 56.8 |
| Redundancy | 6.7 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 298 | 0.1 M sodium acetate buffer and 0.41 M potassium chloride, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
