1ZPK
Crystal structure of the 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 | P 61 |
| Unit cell lengths | 62.483, 62.483, 82.412 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.650 |
| R-factor | 0.1586 |
| Rwork | 0.156 |
| R-free | 0.25280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a9m |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.026 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.690 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.039 | 0.370 |
| Number of reflections | 21955 | |
| <I/σ(I)> | 48.4 | 2.3 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 6.9 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microseeding | 4.4 | 298 | 0.5 M NaCl, 0.1 M Na Citrate, 10% Glycerol, pH 4.4, microseeding, temperature 298K |
