1ZTZ
Crystal structure of HIV protease- metallacarborane complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-03-23 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.800 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.321, 67.181, 42.498 |
| Unit cell angles | 90.00, 94.99, 90.00 |
Refinement procedure
| Resolution | 28.810 - 2.150 |
| R-factor | 0.17864 |
| Rwork | 0.176 |
| R-free | 0.23258 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nh0 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.929 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.190 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Rmerge | 0.055 | 0.228 |
| Number of reflections | 12431 | |
| <I/σ(I)> | 9.3 | 3 |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 7.4 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 277 | 2.0M Ammonium dihydrogen Phospate, 0.1M Tric.Cl pH 8.5, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
