3UKA
CRYSTAL STRUCTURE OF UDP-galactopyranose mutase from Aspergillus fumigatus
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 | 2007-09-07 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97969 |
Spacegroup name | P 1 |
Unit cell lengths | 69.830, 73.560, 116.010 |
Unit cell angles | 102.02, 101.07, 91.11 |
Refinement procedure
Resolution | 19.720 - 2.640 |
R-factor | 0.2093 |
Rwork | 0.206 |
R-free | 0.26740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | structure of reduced AfUGM:UDP-galp complex |
RMSD bond length | 0.002 |
RMSD bond angle | 0.569 |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.900 | 19.900 | 2.650 |
High resolution limit [Å] | 2.420 | 11.550 | 2.420 |
Rmerge | 0.153 | 0.024 | 0.642 |
<I/σ(I)> | 5.24 | 28.81 | 1.21 |
Completeness [%] | 94.5 | 76.3 | 85.1 |
Redundancy | 2 | 1.967 | 1.947 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5.5 | 277 | 0.1M Bis-Tris pH 5.5, 0.2M MgCl2, 13% PEG 3350, 4% acetonitrile, microbatch, temperature 277K |