3MJ4
Crystal structure of UDP-galactopyranose mutase in complex with phosphonate analog of UDP-galactopyranose
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 | 2009-11-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 134.149, 175.715, 223.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.542 - 2.650 |
R-factor | 0.2098 |
Rwork | 0.207 |
R-free | 0.26220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hdq |
RMSD bond length | 0.008 |
RMSD bond angle | 1.230 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 102.060 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.166 | 0.617 |
Number of reflections | 162540 | |
<I/σ(I)> | 5.8 | 1.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.4 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.5 | 298 | 0.1 M HEPES PH 6.5, 0.2 M LICL, 28% PEG 6000, Microbatch, temperature 298K |