1NCW
Cationic Cyclization Antibody 4C6 in Complex with Benzoic Acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-06-03 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 64.072, 64.072, 265.646 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.300 |
| Rwork | 0.158 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mrd |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.300 * |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.041 | 0.688 |
| Number of reflections | 117957 | 4684 * |
| <I/σ(I)> | 26.4 | 1.5 |
| Completeness [%] | 86.0 | 69.6 |
| Redundancy | 3.9 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 5.5 * | 295 | PEG4000, ammonium acetate, tri-sodium citrate, pH 5.6, 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 | PEG4000 | 15-18 (%(w/v)) | |
| 4 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
| 5 | 1 | reservoir | tri-sodium citrate dihydrate | 0.1 (M) | pH5.6 |
