3UTF
Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase in reduced state
Experimental procedure
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00000 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 217.965, 217.965, 322.805 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.243 - 2.250 |
R-factor | 0.1914 |
Rwork | 0.190 |
R-free | 0.21550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ute |
RMSD bond length | 0.007 |
RMSD bond angle | 1.044 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.6.2_432) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.243 | 48.243 | 2.370 |
High resolution limit [Å] | 2.250 | 7.120 | 2.250 |
Rmerge | 0.025 | 0.599 | |
Total number of observations | 50649 | 227555 | |
Number of reflections | 211192 | ||
<I/σ(I)> | 16.2 | 25.1 | 1.3 |
Completeness [%] | 99.8 | 97.8 | 100 |
Redundancy | 7.4 | 7.2 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 1.5M ammonium sulfate, 0.1M sodium acetate, 5mM L-cysteine, 0.5mM THP , pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |