9GRJ
Crystal structure of X409 complexed to penta-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 | 2023-03-12 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 70.991, 36.993, 44.902 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.900 - 1.200 |
| R-factor | 0.18598 |
| Rwork | 0.185 |
| R-free | 0.21338 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.011 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.990 | 1.260 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rpim | 0.020 | 0.750 |
| Number of reflections | 37653 | 5352 |
| <I/σ(I)> | 13.3 | 0.9 |
| Completeness [%] | 99.7 | |
| Redundancy | 7.5 | |
| CC(1/2) | 0.999 | 0.472 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | Polyethylene glycol monomethyl ether 5,000 di-Sodium hydrogen phosphate |
