1KN2
CATALYTIC ANTIBODY D2.3 COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE DW32 |
| Synchrotron site | LURE |
| Beamline | DW32 |
| Temperature [K] | 278 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-12-08 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 78.275, 78.275, 158.952 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.213 * |
| Rwork | 0.213 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yec |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.720 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.85) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 * | 0.439 * |
| Total number of observations | 111500 * | |
| Number of reflections | 43212 | |
| <I/σ(I)> | 12 | 2.3 |
| Completeness [%] | 95.5 | 97.6 |
| Redundancy | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 18 * | Gigant, B., (1998) J. Mol. Biol., 284, 741. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | PEG600 | 30 (%(v/v)) | |
| 3 | 1 | reservoir | zinc acetate | 40 (mM) | |
| 4 | 1 | reservoir | cacodylate | 100 (mM) |
