6G9W
Crystal Structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase in complex with UTP
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 | 56.711, 139.980, 146.293 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.400 |
R-factor | 0.22849 |
Rwork | 0.227 |
R-free | 0.27888 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yqs |
RMSD bond length | 0.010 |
RMSD bond angle | 1.227 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.086 | 0.325 |
Number of reflections | 46020 | 4324 |
<I/σ(I)> | 13 | |
Completeness [%] | 99.0 | |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2M sodium formate and 20% peg 3350 |