5NQA
Crystal structure of GalNAc-T4 in complex with the monoglycopeptide 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-30 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 |
| Unit cell lengths | 65.447, 79.881, 88.614 |
| Unit cell angles | 116.47, 96.74, 104.72 |
Refinement procedure
| Resolution | 76.450 - 1.900 |
| R-factor | 0.22594 |
| Rwork | 0.225 |
| R-free | 0.27393 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ajp |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.718 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.450 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rpim | 0.068 | 0.556 |
| Number of reflections | 115064 | |
| <I/σ(I)> | 6.9 | |
| Completeness [%] | 97.5 | 95.8 |
| Redundancy | 3.6 | 3.2 |
| CC(1/2) | 0.988 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG3350, ammonium nitrate |
