1RUM
Crystal structure (F) of H2O2-soaked cationic cyclization antibody 4C6 fab at pH 8.5 with a data set collected at SSRL beamline 9-1.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-04-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9706 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 64.386, 64.386, 266.983 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.480 |
| Rwork | 0.175 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ncw |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.200 * |
| 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 | 1.520 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.070 * | |
| Number of reflections | 92687 * | |
| <I/σ(I)> | 29.6 | 1.4 |
| Completeness [%] | 97.8 | 98.8 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 * | 295 | 0.1 M tris hydrochloride, pH 8.5, 0.2 M sodium acetate, 15% (w/v) PEG 4000, 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 | sodium acetate | 0.2 (M) | |
| 5 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.5 |
