1RUL
Crystal Structure (D) of u.v.-irradiated cationic cyclization antibody 4C6 Fab at pH 5.6 with a data set collected at SSRL beamline 11-1.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-04-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.03317 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 63.920, 63.920, 265.725 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.880 |
| Rwork | 0.206 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ncw |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.900 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.080 * | |
| Number of reflections | 42866 | |
| <I/σ(I)> | 22.6 | 1.4 |
| Completeness [%] | 90.7 | 72.4 |
| Redundancy | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 * | 295 | 0.1 M tri-sodium citrate, 0.2M ammonium acetate, 15% (w/v) PEG 4000, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Fab | 26 (mg/ml) | |
| 2 | 1 | drop | sodium acetate | 0.1 (M) | pH5.5 |
| 3 | 1 | reservoir | PEG4000 | 15 (%(w/v)) | |
| 4 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
| 5 | 1 | reservoir | trisodium citrate | 0.1 (M) | pH5.6 |
