1Q1J
Crystal Structure Analysis of anti-HIV-1 Fab 447-52D in complex with V3 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-07-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9840 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.673, 74.903, 100.047 |
| Unit cell angles | 90.00, 100.57, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 2.500 |
| R-factor | 0.2501 |
| Rwork | 0.250 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8fab |
| RMSD bond length | 0.007 |
| RMSD bond angle | 26.800 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.077 * | 0.531 * |
| Total number of observations | 67571 * | |
| Number of reflections | 35179 | 1816 * |
| <I/σ(I)> | 13.7 | 1.9 |
| Completeness [%] | 90.7 | 95.2 * |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 1.23M ammonium sulfate, 0.1M sodium cacodylate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Fab | 20 (mg/ml) | |
| 2 | 1 | drop | peptide | 10 (mg/ml) | |
| 3 | 1 | reservoir | ammonium sulfate | 1.23 (M) | |
| 4 | 1 | reservoir | sodium cacodylate | 0.1 (M) | pH6.0 |
