1ZBG
Crystal structure of a complex of mutant hiv-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[R-CH(OH)CH2NH]-PHE-GLU-PHE-NH2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-04-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.934 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 56.409, 87.419, 94.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.995 |
| R-factor | 0.18498 |
| Rwork | 0.187 |
| R-free | 0.23732 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a9m |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.697 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.047 |
| High resolution limit [Å] | 1.995 | 1.995 |
| Rmerge | 0.061 | 0.325 |
| Number of reflections | 14316 | |
| <I/σ(I)> | 19.4 | 3.9 |
| Completeness [%] | 87.6 | 86.4 |
| Redundancy | 3.2 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 298 | 0.1 M Na Citrate, 1M NaCl, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
