4U8J
Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y104A
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 | 218.419, 218.419, 322.197 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 163.000 - 2.300 |
R-factor | 0.1837 |
Rwork | 0.182 |
R-free | 0.21970 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3utf |
RMSD bond length | 0.007 |
RMSD bond angle | 1.023 |
Data reduction software | XDS (0.1.29) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 163.120 | 163.120 | 2.340 |
High resolution limit [Å] | 2.300 | 12.600 | 2.300 |
Rmerge | 0.204 | 0.034 | 0.759 |
Rpim | 0.065 | 0.011 | 0.236 |
Total number of observations | 2130460 | 13643 | 109153 |
Number of reflections | 198787 | ||
<I/σ(I)> | 10 | 19.7 | 3.1 |
Completeness [%] | 99.9 | 98.5 | 99.9 |
Redundancy | 10.7 | 9.8 | 11.2 |
CC(1/2) | 0.991 | 0.999 | 0.819 |
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. |