4Z50
Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20D25N with Tucked Flap
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 | 2011-11-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.148, 48.569, 69.680 |
| Unit cell angles | 90.00, 99.15, 90.00 |
Refinement procedure
| Resolution | 9.920 - 1.450 |
| R-factor | 0.14091 |
| Rwork | 0.138 |
| R-free | 0.19077 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ucb |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.057 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.900 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.049 | 0.316 |
| Number of reflections | 59088 | |
| <I/σ(I)> | 27.3 | 4.2 |
| Completeness [%] | 93.0 | 65.2 |
| Redundancy | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 298 | 0.9M sodium chloride and 0.2 M sodium acetate |
