1RUR
Crystal Structure (I) of native Diels-Alder antibody 13G5 Fab at pH 8.0 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 | 2002-02-07 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.99184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 179.275, 40.310, 67.631 |
| Unit cell angles | 90.00, 109.91, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.500 |
| Rwork | 0.191 |
| R-free | 0.25600 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a3l |
| RMSD bond length | 0.008 |
| RMSD bond angle | 2.000 * |
| 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 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.047 * | |
| Number of reflections | 71213 | |
| <I/σ(I)> | 24 | 1.6 |
| Completeness [%] | 97.4 | 97.9 |
| Redundancy | 2.7 |
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 |
