4U8L
Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant N207A
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 | 218.181, 218.181, 321.904 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 103.319 - 2.300 |
R-factor | 0.1902 |
Rwork | 0.189 |
R-free | 0.22170 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3utf |
RMSD bond length | 0.008 |
RMSD bond angle | 1.061 |
Data reduction software | XDS (0.1.29) |
Data scaling software | Aimless |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 122.530 | 122.530 | 2.340 |
High resolution limit [Å] | 2.300 | 12.600 | 2.300 |
Rmerge | 0.167 | 0.031 | 1.167 |
Rpim | 0.083 | 0.016 | 0.572 |
Total number of observations | 954588 | 5887 | 47492 |
Number of reflections | 197338 | ||
<I/σ(I)> | 7.6 | 19.7 | 1.4 |
Completeness [%] | 99.5 | 94.7 | 99.9 |
Redundancy | 4.8 | 4.4 | 4.9 |
CC(1/2) | 0.979 | 0.998 | 0.563 |
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. |