3IXO
Crystal Structure of uncomplexed HIV_1 Protease Subtype A
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 | 2009-03-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 61 |
| Unit cell lengths | 62.207, 62.207, 82.470 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.800 - 1.700 |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aqu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.800 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.089 | |
| Number of reflections | 18760 | |
| <I/σ(I)> | 12.3 | 2.2 |
| Completeness [%] | 94.1 | 99.2 |
| Redundancy | 4.4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 1.0 M NaCl, 30 mM citrate, mixed 1:1 with protein, then mix 0.25 part Anapoe 58 detergent., pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
