4U8M
Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y317A
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 | 216.564, 216.564, 317.291 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 161.453 - 2.300 |
R-factor | 0.2057 |
Rwork | 0.204 |
R-free | 0.24410 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3utf |
RMSD bond length | 0.008 |
RMSD bond angle | 1.087 |
Data reduction software | XDS (0.1.29) |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 187.550 | 187.550 | 2.340 |
High resolution limit [Å] | 2.300 | 12.600 | 2.300 |
Rmerge | 0.286 | 0.067 | 1.245 |
Rpim | 0.095 | 0.022 | 0.409 |
Total number of observations | 2033601 | 12520 | 101606 |
Number of reflections | 191862 | ||
<I/σ(I)> | 7 | 11.8 | 2 |
Completeness [%] | 99.7 | 96 | 100 |
Redundancy | 10.6 | 9.6 | 10.8 |
CC(1/2) | 0.975 | 0.997 | 0.622 |
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. |