1M0B
HIV-1 protease in complex with an ethyleneamine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-11-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 61 |
| Unit cell lengths | 62.700, 62.700, 82.230 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 - 2.450 |
| R-factor | 0.181 |
| Rwork | 0.178 |
| R-free | 0.24000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 25.800 * |
| 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] | 25.000 | 2.580 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.091 * | 0.495 * |
| Total number of observations | 42257 * | |
| Number of reflections | 6765 | 865 * |
| <I/σ(I)> | 14.4 | 3.6 |
| Completeness [%] | 99.2 * | 98.5 * |
| Redundancy | 3.5 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 * | 4 * | citrate buffer, pH 4.6, NaCl, VAPOR DIFFUSION, HANGING DROP at 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3 (mg/ml) | |
| 2 | 1 | drop | sodium acetate | 50 (mM) | pH5.8 |
| 3 | 1 | drop | 2-mercaptoethanol | 0.5 (%(v/v)) | |
| 4 | 1 | reservoir | 0.2-0.6 (M) | ||
| 5 | 1 | reservoir | sodium citrate | 0.1 (M) | pH4.5-5.5 |
