6D9A
Crystal structure of Corynebacterium diphtheriae UDP-galactopyranose mutase in complex with UDP-GalNAc (open, reduced)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-13 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 97.430, 97.430, 128.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.009 - 2.900 |
R-factor | 0.1688 |
Rwork | 0.165 |
R-free | 0.23260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5br7 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.230 |
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] | 48.720 | 48.720 | 3.080 |
High resolution limit [Å] | 2.900 | 8.700 | 2.900 |
Rmerge | 0.121 | 0.041 | 0.880 |
Rmeas | 0.123 | 0.042 | 0.895 |
Rpim | 0.023 | 0.009 | 0.167 |
Number of reflections | 26212 | 617 | 2254 |
<I/σ(I)> | 22.5 | ||
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 27.8 | 23.5 | 27.8 |
CC(1/2) | 0.999 | 0.999 | 0.938 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 100 mM Tris, 28% PEG400, 20% isopropanol |