2R8N
Structural Analysis of the Unbound Form of HIV-1 Subtype C Protease
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 | 2007-02-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 46.711, 46.711, 100.708 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.500 - 1.200 |
| R-factor | 0.141 |
| Rwork | 0.141 |
| R-free | 0.17800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.030 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.076 | 0.273 |
| Number of reflections | 33850 | |
| <I/σ(I)> | 14 | 4.5 |
| Completeness [%] | 99.3 | 95.7 |
| Redundancy | 7.9 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 30 mM citric acid, 1 M NaCl, TritonX-100, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
