5EQD
Structure of oxidized UDP-galactopyranose mutase from Mycobacterium smegmatis in complex with UDP in opened and closed form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.978542 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 124.188, 132.184, 135.654 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.800 - 1.830 |
| R-factor | 0.1696 |
| Rwork | 0.168 |
| R-free | 0.19580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i8t |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.059 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX ((phenix.refine: 1.9_1690)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.920 |
| High resolution limit [Å] | 1.830 | 3.990 | 1.830 |
| Rmerge | 0.088 | 0.054 | 0.694 |
| Rmeas | 0.095 | 0.058 | 0.752 |
| Rpim | 0.035 | 0.021 | 0.286 |
| Total number of observations | 699321 | ||
| Number of reflections | 96510 | ||
| <I/σ(I)> | 8.7 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 7.2 | 7.3 | 6.8 |
| CC(1/2) | 0.997 | 0.844 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 100 mM Tris-HCl, 100 mM sodium nitrate, 1.8 M ammonium sulfate |
