7XTN
Crystal structure of the C-terminal domain of Bombyx mori N-acetylglucosaminyltransferase IV in complex with N-acetylglucosamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-05 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 32.697, 64.098, 79.148 |
Unit cell angles | 90.00, 95.89, 90.00 |
Refinement procedure
Resolution | 32.545 - 1.150 |
Rwork | 0.193 |
R-free | 0.20870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold2 model |
RMSD bond length | 0.011 |
RMSD bond angle | 1.677 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.370 | 1.210 |
High resolution limit [Å] | 1.150 | 1.150 |
Rmerge | 0.046 | 0.810 |
Rmeas | 0.050 | 0.879 |
Rpim | 0.019 | 0.336 |
Number of reflections | 113597 | 15961 |
<I/σ(I)> | 18.1 | 2.3 |
Completeness [%] | 98.6 | 94.9 |
Redundancy | 6.7 | 6.6 |
CC(1/2) | 0.999 | 0.782 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M MES-NaOH, pH 7.0, 12%(w/v) PEG20000, 10 mM N-acetylglucosamine |