9UML
crystal structure of MbUSP in complex with UDP-Gal
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.840, 99.910, 79.610 |
| Unit cell angles | 90.00, 99.60, 90.00 |
Refinement procedure
| Resolution | 38.980 - 2.250 |
| R-factor | 0.1837 |
| Rwork | 0.181 |
| R-free | 0.23060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.870 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.21.1_5286: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.980 | 2.320 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.119 | 0.871 |
| Rmeas | 0.134 | 0.972 |
| Rpim | 0.059 | 0.425 |
| Total number of observations | 159976 | 15012 |
| Number of reflections | 33584 | 3078 |
| <I/σ(I)> | 9.1 | 1.8 |
| Completeness [%] | 99.9 | |
| Redundancy | 4.8 | 4.9 |
| CC(1/2) | 0.996 | 0.636 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris-HCl pH 8.1, 23% (w/v) polyethylene glycol (PEG) 6,000 |
