7Q4I
Crystal structure of DmC1GalT1 in complex with UDP-Mn2+ and the APD-TGalNAc-RP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9919 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.241, 80.445, 71.949 |
| Unit cell angles | 90.00, 93.19, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.1778 |
| Rwork | 0.175 |
| R-free | 0.23466 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AF-Q9NS00-F1-model_v1.pdb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.769 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.143 | 0.825 |
| Rpim | 0.091 | 0.526 |
| Number of reflections | 22437 | 3241 |
| <I/σ(I)> | 7.1 | |
| Completeness [%] | 99.8 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.981 | 0.412 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | potassium thiocyanate, Polyethylene glycol monomethyl ether 2,000 |
