9GRF
Crystal structure of X409 complexed to tetra-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 | 2023-05-04 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 63.696, 76.050, 27.858 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.840 - 1.140 |
| R-factor | 0.15685 |
| Rwork | 0.156 |
| R-free | 0.17180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.247 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.200 |
| High resolution limit [Å] | 1.140 | 1.140 |
| Rpim | 0.014 | |
| Number of reflections | 49244 | 6153 |
| <I/σ(I)> | 34.4 | 10.2 |
| Completeness [%] | 97.9 | |
| Redundancy | 12.4 | 5.4 |
| CC(1/2) | 0.998 | 0.992 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | Polyethylene glycol monomethyl ether 5,000 Lithium chloride |
