1KEL
CATALYTIC ANTIBODY 28B4 FAB FRAGMENT COMPLEXED WITH HAPTEN (1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO] METHYLPHOSPHONIC ACID)
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-03-10 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 1 |
| Unit cell lengths | 52.700, 58.200, 43.200 |
| Unit cell angles | 94.30, 113.80, 78.90 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.199 |
| Rwork | 0.199 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.635 |
| Data reduction software | DENZO |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.900 |
| High resolution limit [Å] | 1.900 | 1.700 |
| Rmerge | 0.058 | 0.180 |
| Total number of observations | 83241 * | |
| Number of reflections | 31750 | |
| <I/σ(I)> | 11 | |
| Completeness [%] | 98.0 | 63 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.5 | 4 * | pH 8.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | hapten | 2 (mM) | |
| 2 | 1 | drop | Fab | 12.5 (mg/ml) | |
| 3 | 1 | drop | Tris-HCl | 10 (mM) | |
| 4 | 1 | drop | 100 (mM) | ||
| 5 | 1 | drop | methionine | 1 (mM) | |
| 6 | 1 | drop | EDTA | 0.5 (mM) | |
| 7 | 1 | reservoir | PEG4000 | 20 (%) | |
| 8 | 1 | reservoir | isopropanol | 10 (%) | |
| 9 | 1 | reservoir | Tris-HCl | 0.1 (M) |
