1F3D
CATALYTIC ANTIBODY 4B2 IN COMPLEX WITH ITS AMIDINIUM HAPTEN.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE DW32 |
| Synchrotron site | LURE |
| Beamline | DW32 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-03-29 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.000, 87.200, 128.800 |
| Unit cell angles | 90.00, 97.60, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.870 |
| R-factor | 0.198 * |
| Rwork | 0.198 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.411 |
| 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 | 1.900 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.039 | 0.201 |
| Total number of observations | 155936 * | |
| Number of reflections | 79647 | |
| <I/σ(I)> | 20 | 3.3 |
| Completeness [%] | 98.0 | 94.9 |
| Redundancy | 1.84 | 1.87 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 4 * | PEG 4000, ammonium sulfate, acetate, stontium chloride, glycerol, dioxan, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 16 (%(v/v)) | |
| 10 | 1 | drop | 0.05 (%) | ||
| 2 | 1 | reservoir | dioxane | 3 (%(v/v)) | |
| 3 | 1 | reservoir | glycerol | 20 (%(v/v)) | |
| 4 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
| 5 | 1 | reservoir | strontium chloride | 5 (mM) | |
| 6 | 1 | reservoir | sodium acetate | 20 (mM) | |
| 7 | 1 | drop | hapten | 0.25 (mM) | |
| 8 | 1 | drop | Fab | 11.6 (mg/ml) | |
| 9 | 1 | drop | 0.15 (M) |
