4NPU
Crystal Structure of HIV-1 Protease Multiple Mutant P51
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 |
| Unit cell lengths | 46.685, 46.685, 101.617 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.640 - 1.500 |
| R-factor | 0.1609 |
| Rwork | 0.159 |
| R-free | 0.19744 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uf3 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.070 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.067 | 0.277 |
| Number of reflections | 34414 | |
| <I/σ(I)> | 23.2 | 4.6 |
| Completeness [%] | 99.4 | 95.5 |
| Redundancy | 8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M imidazole, 1.0 M sodium acetate trihydrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
