1LZQ
Crystal structure of the complex of mutant HIV-1 protease (A71V, V82T, I84V) with an ethylenamine peptidomimetic inhibitor BOC-PHE-PSI[CH2CH2NH]-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 |
| Unit cell lengths | 62.680, 62.680, 83.309 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.000 - 2.200 |
| R-factor | 0.208 |
| Rwork | 0.203 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.000 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.079 | 0.449 |
| Total number of observations | 61979 * | |
| Number of reflections | 9490 * | |
| <I/σ(I)> | 3.3 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5.8 * | 298 | NaCl, GLYCEROL, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | sodium acetate | 50 (mM) | pH5.8 |
| 2 | 1 | drop | EDTA | 1 (mM) | |
| 3 | 1 | drop | beta-mercaptoethanol | 0.05 (%) | |
| 4 | 1 | drop | protein | 3 (mg/ml) | |
| 5 | 1 | reservoir | 0.5 (M) | ||
| 6 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.4 |
| 7 | 1 | reservoir | glycerol | 10-15 (%) |
