9G53
The structure of Aspergillus fumigatus UDP-GlcNAc pyrophosphorylase in complex with a fragment
This is a non-PDB format compatible entry.
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 | 2023-10-09 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.670, 136.770, 142.550 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 48.500 - 1.960 |
| R-factor | 0.2185 |
| Rwork | 0.216 |
| R-free | 0.26310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.836 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.870 | 1.990 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Number of reflections | 151726 | 7449 |
| <I/σ(I)> | 7.7 | |
| Completeness [%] | 99.5 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.998 | 0.352 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Sodium acetate 25 % PEG3350 |
