6XXV
Crystal Structure of a computationally designed Immunogen S2_1.2 in complex with its elicited antibody C57
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-22 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 241.019, 66.890, 91.384 |
| Unit cell angles | 90.00, 110.81, 90.00 |
Refinement procedure
| Resolution | 48.970 - 2.201 |
| R-factor | 0.209576207106 |
| Rwork | 0.209 |
| R-free | 0.24405 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jlr |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.808 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.970 | 2.330 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmeas | 0.053 | 0.779 |
| Number of reflections | 67660 | 52096 |
| <I/σ(I)> | 22.59 | 2 |
| Completeness [%] | 97.5 | 92.8 |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2M Ammonium tartrate dibasic, 20 % w/v PEG 3350 |
