8S6V
Crystal structure of Fab-2D9 chimera complexed to a bis-Tn glycopeptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-03 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.053, 111.546, 134.962 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 85.980 - 1.950 |
| R-factor | 0.20124 |
| Rwork | 0.199 |
| R-free | 0.24410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.445 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 134.960 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rpim | 0.075 | 0.573 |
| Number of reflections | 74559 | 10735 |
| <I/σ(I)> | 7.1 | 1.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.2 | 5.3 |
| CC(1/2) | 0.993 | 0.599 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | lithium sulfate Bis-Tris PEG 3350 |
