4WX1
Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant F66A determined from a crystal soaked with UDP-Galactopyranose
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 | 2014-07-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 217.943, 217.943, 321.122 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 103.192 - 2.200 |
R-factor | 0.1895 |
Rwork | 0.188 |
R-free | 0.22080 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3utg |
RMSD bond length | 0.007 |
RMSD bond angle | 1.070 |
Data scaling software | Aimless (0.3.6) |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 162.720 | 162.720 | 2.240 |
High resolution limit [Å] | 2.200 | 12.050 | 2.200 |
Rmerge | 0.174 | 0.027 | 1.403 |
Rpim | 0.048 | 0.008 | 0.392 |
Total number of observations | 2997337 | 18896 | 151455 |
Number of reflections | 224393 | ||
<I/σ(I)> | 13.1 | 40.4 | 2 |
Completeness [%] | 99.7 | 97.7 | 100 |
Redundancy | 13.4 | 12.2 | 13.8 |
CC(1/2) | 0.997 | 1.000 | 0.565 |
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. Crystal was soaked in 100 mM UDP-galactopyranose for 75 minutes. |