6D9C
Crystal structure of Corynebacterium diphtheriae UDP-galactopyranose mutase in complex with UDP-glucose (open, reduced)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-13 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 97.260, 97.260, 129.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.073 - 3.050 |
R-factor | 0.1837 |
Rwork | 0.180 |
R-free | 0.24720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5br7 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.394 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.480 | 36.480 | 3.290 |
High resolution limit [Å] | 3.050 | 8.070 | 3.050 |
Rmerge | 0.125 | 0.049 | 0.898 |
Rmeas | 0.128 | 0.050 | 0.916 |
Rpim | 0.024 | 0.010 | 0.176 |
Number of reflections | 22475 | 749 | 2471 |
<I/σ(I)> | 19.7 | ||
Completeness [%] | 99.9 | 98.6 | 100 |
Redundancy | 26.4 | 23.1 | 25.3 |
CC(1/2) | 0.999 | 1.000 | 0.924 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 100 mM Tris, 28% PEG400, 20% isopropanol |