3UKF
CRYSTAL STRUCTURE OF UDP-galactopyranose mutase from Aspergillus fumigatus in complex with UDPgalp (reduced)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9809 |
Spacegroup name | P 1 |
Unit cell lengths | 72.083, 129.338, 175.077 |
Unit cell angles | 89.97, 103.61, 90.14 |
Refinement procedure
Resolution | 20.000 - 2.500 |
R-factor | 0.2521 |
Rwork | 0.250 |
R-free | 0.29350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | non-reduced AfUGM:UDP-galp complex |
RMSD bond length | 0.003 |
RMSD bond angle | 0.640 |
Data reduction software | d*TREK (9.9.8.0L) |
Data scaling software | d*TREK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 2.490 |
High resolution limit [Å] | 2.400 | 5.140 | 2.400 |
Rmerge | 0.114 | 0.079 | 0.646 |
Number of reflections | 233082 | ||
<I/σ(I)> | 5.6 | 13.8 | 1.6 |
Completeness [%] | 97.2 | 95.3 | 92.2 |
Redundancy | 3.56 | 3.35 | 3.52 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8.5 | 295 | 0.1M Bis-Tris-Propane pH 8.5, 0.2-0.25M sodium citrate, 15-20% PEG 3350, microbatch, temperature 295K |