6D99
Crystal structure of Corynebacterium diphtheriae UDP-galactopyranose mutase in complex with UDP-GalNAc (open, oxidized)
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 | 98.010, 98.010, 127.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.732 - 2.150 |
R-factor | 0.1549 |
Rwork | 0.153 |
R-free | 0.18710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5br7 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.130 |
Data reduction software | iMOSFLM |
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] | 46.870 | 46.870 | 2.220 |
High resolution limit [Å] | 2.150 | 8.860 | 2.150 |
Rmerge | 0.156 | 0.057 | 0.882 |
Rmeas | 0.158 | 0.058 | 0.898 |
Rpim | 0.029 | 0.012 | 0.165 |
Number of reflections | 64409 | 580 | 2927 |
<I/σ(I)> | 14.4 | ||
Completeness [%] | 100.0 | 98.5 | 100 |
Redundancy | 29.1 | 22.9 | 29.4 |
CC(1/2) | 0.998 | 0.999 | 0.935 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 100 mM Tris, 28% PEG400, 20% isopropanol |