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 |