9GSM
Crystal structure of X409 complexed to tetra-core1-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 | 2023-10-26 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.194, 38.124, 72.870 |
| Unit cell angles | 90.00, 99.42, 90.00 |
Refinement procedure
| Resolution | 40.350 - 1.750 |
| R-factor | 0.243 |
| Rwork | 0.242 |
| R-free | 0.26800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.160 |
| 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] | 40.350 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rpim | 0.091 | 0.733 |
| Number of reflections | 24440 | 3516 |
| <I/σ(I)> | 6.3 | 2.2 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 5.6 | 5.5 |
| CC(1/2) | 0.994 | 0.567 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | Polyethylene glycol monomethyl ether 5,000 Sodium fluoride |
