5VWU
Crystal structure of oxidized Aspergillus fumigatus UDP-galactopyranose mutase complexed with NADH
Replaces: 4GDDExperimental 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 | 2012-03-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 218.247, 218.247, 318.004 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.586 - 2.750 |
R-factor | 0.1958 |
Rwork | 0.194 |
R-free | 0.22730 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3utf |
RMSD bond length | 0.008 |
RMSD bond angle | 1.013 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 162.476 | 162.476 | 2.900 |
High resolution limit [Å] | 2.750 | 8.700 | 2.750 |
Rmerge | 0.042 | 1.216 | |
Rmeas | 0.168 | 0.045 | 1.297 |
Rpim | 0.054 | 0.015 | 0.429 |
Total number of observations | 982507 | ||
Number of reflections | 115207 | ||
<I/σ(I)> | 10.9 | 13.5 | 0.6 |
Completeness [%] | 99.6 | 97.5 | 99.9 |
Redundancy | 8.5 | 8.4 | 7.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 1.4 M ammonium sulfate, 0.1 M sodium acetate, pH 4.5 |