6D9D
Crystal structure of Corynebacterium diphtheriae UDP-galactopyranose mutase in complex with UDP-GlcNAc (open, oxidized)
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 | 98.240, 98.240, 127.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.923 - 2.200 |
| R-factor | 0.1631 |
| Rwork | 0.162 |
| R-free | 0.18780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5br7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.138 |
| 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] | 38.923 | 38.920 | 2.270 |
| High resolution limit [Å] | 2.200 | 8.800 | 2.200 |
| Rmerge | 0.097 | 0.044 | 0.955 |
| Rmeas | 0.099 | 0.045 | 0.972 |
| Rpim | 0.018 | 0.010 | 0.178 |
| Number of reflections | 60563 | 595 | 2940 |
| <I/σ(I)> | 24.3 | ||
| Completeness [%] | 100.0 | 98.5 | 100 |
| Redundancy | 29.2 | 22.5 | 29.5 |
| 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 |
