6G9V
Crystal structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase(AfUAP1) in complex with UDPGlcNAc, pyrophosphate and Mg2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2007-08-25 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.195, 139.839, 144.615 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.970 - 1.750 |
| R-factor | 0.20735 |
| Rwork | 0.207 |
| R-free | 0.23980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yqs |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.075 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.058 | 0.568 |
| Number of reflections | 113044 | 11144 |
| <I/σ(I)> | 16.4 | |
| Completeness [%] | 99.0 | |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M sodium formate and 20 % PEG3350 |
