1RUQ
Crystal Structure (H) of u.v.-irradiated Diels-Alder antibody 13G5 Fab at pH 8.0 with a data set collected in house.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE M06X |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-01-04 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 179.929, 40.451, 67.970 |
| Unit cell angles | 90.00, 109.97, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.860 |
| Rwork | 0.219 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a3l |
| RMSD bond length | 0.006 |
| RMSD bond angle | 27.300 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.064 * | |
| Number of reflections | 36527 | |
| <I/σ(I)> | 24.2 | 1.4 |
| Completeness [%] | 93.7 | 60 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 * | 295 | 0.1 M imidazole, pH 8.0, 0.2 M zinc acetate, 5-7% (v/v) isopropanol, 20% (w/v) PEG 3000, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Fab | 15 (mg/ml) | pH7.4 |
| 2 | 1 | reservoir | PEG3000 | 20 (%(w/v)) | |
| 3 | 1 | reservoir | zinc acetate | 0.2 (M) | |
| 4 | 1 | reservoir | isopropyl alcohol | 5-7 (%(v/v)) | |
| 5 | 1 | reservoir | imidazole | 0.1 (M) | pH8.0 |
