8S6T
Crystal structure of Fab-3F1 complexed to a bis-STn 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 | 2023-12-07 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 74.779, 74.779, 392.355 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.770 - 1.850 |
| R-factor | 0.23101 |
| Rwork | 0.230 |
| R-free | 0.26739 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.760 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 57161 | 8113 |
| <I/σ(I)> | 12 | 0.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 16.1 | |
| CC(1/2) | 0.999 | 0.473 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | Magnesium chloride hexahydrate calcium chloride dihydrate NDSB sodium HEPES MOPS ethylene glycol PEG 8000 |
