5FV9
Crystal structure of GalNAc-T2 in complex with compound 16d
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 116.493, 121.748, 250.155 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 250.150 - 2.070 |
| R-factor | 0.19113 |
| Rwork | 0.190 |
| R-free | 0.24685 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dot |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.996 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.120 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.060 | 0.630 |
| Number of reflections | 215817 | |
| <I/σ(I)> | 15.6 | 2.6 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 5.7 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
