4U8P
Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant Y317A complexed with UDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2014-02-23 |
Detector | CUSTOM-MADE |
Wavelength(s) | 1.000 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 217.248, 217.248, 320.856 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 55.250 - 2.050 |
R-factor | 0.1689 |
Rwork | 0.168 |
R-free | 0.19320 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3utf |
RMSD bond length | 0.007 |
RMSD bond angle | 1.030 |
Data reduction software | XDS (0.2.17) |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 61.040 | 61.040 | 2.090 |
High resolution limit [Å] | 2.050 | 11.230 | 2.050 |
Rmerge | 0.113 | 0.024 | 1.045 |
Rpim | 0.043 | 0.010 | 0.403 |
Total number of observations | 2047696 | 12423 | 98709 |
Number of reflections | 275353 | ||
<I/σ(I)> | 14.4 | 42.6 | 2.4 |
Completeness [%] | 99.9 | 97.2 | 99.9 |
Redundancy | 7.4 | 6.7 | 7.3 |
CC(1/2) | 0.998 | 0.999 | 0.775 |
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. |