2O40
Crystal Structure of a Chemically Synthesized 203 Amino Acid 'Covalent Dimer' HIV-1 Protease Molecule
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2006-08-22 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97932 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.326, 58.306, 61.699 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.650 |
| R-factor | 0.19335 |
| Rwork | 0.191 |
| R-free | 0.23748 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.599 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP (VRSION 8.1) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.694 |
| High resolution limit [Å] | 1.650 | 1.651 |
| Rmerge | 0.072 | 0.749 |
| Number of reflections | 22342 | |
| <I/σ(I)> | 14.6 | 2.67 |
| Completeness [%] | 98.3 | 88.68 |
| Redundancy | 4.8 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.1M citrate, 0.2M sodium phophate, 30% (w/v) ammonium sulfate, 10% (v/v) DMSO, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
