9G63
The structure of Aspergillus fumigatus UDP-GlcNAc pyrophosphorylase in complex with fragments
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 21 21 21 |
| Unit cell lengths | 55.493, 136.840, 143.052 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.390 - 2.030 |
| R-factor | 0.21489 |
| Rwork | 0.213 |
| R-free | 0.26353 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.573 |
| Data reduction software | xia2 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.390 | 2.060 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Number of reflections | 71521 | 3455 |
| <I/σ(I)> | 6.4 | |
| Completeness [%] | 100.0 | |
| Redundancy | 13.6 | |
| CC(1/2) | 0.993 | 0.297 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Sodium acetate 25 % PEG3350 |
