3HDK
Crystal structure of chemically synthesized [Aib51/51']HIV-1 protease
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2006-07-30 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97985 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.341, 58.395, 61.434 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.22085 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.618 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.088 | 0.556 |
| Number of reflections | 17740 | |
| <I/σ(I)> | 13.4 | 3.49 |
| Completeness [%] | 99.4 | 98.1 |
| Redundancy | 4.8 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.1 M citrate, 0.2 M sodium phosphate, 30% (v/v) ammonium sulfate, 10% (v/v) DMSO, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
