3UKP
Crystal structure of R327A UDP-galactopyranose mutase from Aspergillus fumigatus in complex with UDPgalp
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-10 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.9798 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 129.600, 175.710, 135.347 |
Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
Resolution | 34.770 - 3.100 |
R-factor | 0.206 |
Rwork | 0.202 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | reduced AfUGM:UDPgalp complex |
RMSD bond length | 0.005 |
RMSD bond angle | 1.148 |
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] | 34.770 | 34.770 | 3.210 |
High resolution limit [Å] | 3.100 | 6.660 | 3.100 |
Rmerge | 0.238 | 0.114 | 0.630 |
Number of reflections | 105656 | ||
<I/σ(I)> | 3.5 | 7 | 1.7 |
Completeness [%] | 96.3 | 91.8 | 98.1 |
Redundancy | 3.38 | 3.36 | 3.43 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 295 | 0.1M Bis-Tris- propane pH 7.5-8.5, 0.1-0.2M sodium citrate, 15-20% PEG 3350, micro batch, temperature 295K |