4U8I
Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant F66A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97916 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 217.126, 217.126, 320.348 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.388 - 2.050 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.21390 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3utf |
RMSD bond length | 0.007 |
RMSD bond angle | 1.031 |
Data scaling software | Aimless (0.1.29) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.390 | 48.390 | 2.090 |
High resolution limit [Å] | 2.050 | 11.230 | 2.050 |
Rmerge | 0.145 | 0.039 | 1.081 |
Rpim | 0.058 | 0.016 | 0.455 |
Total number of observations | 1970641 | 11268 | 87007 |
Number of reflections | 273170 | ||
<I/σ(I)> | 9 | 19.3 | 2.1 |
Completeness [%] | 99.5 | 92.5 | 99.9 |
Redundancy | 7.2 | 6.5 | 6.5 |
CC(1/2) | 0.994 | 0.998 | 0.640 |
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. |