4U8K
Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Q107A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 216.190, 216.190, 318.767 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 121.363 - 2.200 |
R-factor | 0.1753 |
Rwork | 0.174 |
R-free | 0.20700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3utf |
RMSD bond length | 0.007 |
RMSD bond angle | 1.061 |
Data reduction software | XDS (0.1.29) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 159.380 | 159.380 | 2.240 |
High resolution limit [Å] | 2.200 | 12.050 | 2.200 |
Rmerge | 0.138 | 0.025 | 0.864 |
Rpim | 0.060 | 0.011 | 0.388 |
Total number of observations | 1289710 | 8064 | 62163 |
Number of reflections | 219305 | ||
<I/σ(I)> | 10 | 24.8 | 2.1 |
Completeness [%] | 99.7 | 94.4 | 100 |
Redundancy | 5.9 | 5.5 | 5.8 |
CC(1/2) | 0.995 | 0.999 | 0.715 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 1.2 - 1.4 M ammonium sulfate and 0.1 M sodium acetate at pH 4.5. |