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) |