1ZJ7
Crystal structure of a complex of mutant HIV-1 protease (A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[S-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) | 0.9340 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 62.859, 62.859, 83.253 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.930 |
| R-factor | 0.2287 |
| Rwork | 0.229 |
| R-free | 0.29940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iiq |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.707 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.000 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.048 | 0.434 |
| Number of reflections | 6784 | |
| <I/σ(I)> | 28.1 | 4.4 |
| Completeness [%] | 87.6 | 85.4 |
| Redundancy | 6.7 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 298 | 0.1 M Na Citrate, 0.5 M NaCl, 10% (v/v) glycerol, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
