1ND0
CATIONIC CYCLIZATION ANTIBODY 4C6 COMPLEX WITH TRANSITION STATE ANALOG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-04-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.572, 95.164, 141.058 |
| Unit cell angles | 75.51, 88.64, 89.28 |
Refinement procedure
| Resolution | 50.000 - 2.450 |
| Rwork | 0.242 |
| R-free | 0.28600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ncw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.096 | 0.584 |
| Number of reflections | 53415 | 2598 * |
| <I/σ(I)> | 8.7 | 1.5 |
| Completeness [%] | 79.1 | 78.4 |
| Redundancy | 1.7 | 1.7 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 5.5 | 295 | ammonium sulfate, dioxane, tri-sodium citrate dihydrate, pH 5.5, evaporation, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 26 (mg/ml) | |
| 2 | 1 | drop | sodium acetate | 0.1 (M) | pH5.5 |
| 3 | 1 | reservoir | ammonium sulfate | 1.7 (M) | |
| 4 | 1 | reservoir | dioxane | 10 (%(v/v)) | |
| 5 | 1 | reservoir | tri-sodium citrate dihydrate | 0.1 (M) | pH5.5 |
