5F3R
Structure of oxidized UDP-galactopyranose mutase from Mycobacterium smegmatis in complex with magnesium ion
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 | 2013-06-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 85.989, 85.989, 126.151 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.696 - 2.040 |
| R-factor | 0.1763 |
| Rwork | 0.173 |
| R-free | 0.23960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5eqd |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.063 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| 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] | 42.200 | 42.200 | 2.120 |
| High resolution limit [Å] | 2.040 | 4.420 | 2.040 |
| Rmerge | 0.074 | 0.041 | 0.923 |
| Rmeas | 0.075 | 0.042 | 0.940 |
| Rpim | 0.014 | 0.008 | 0.176 |
| Total number of observations | 874713 | ||
| Number of reflections | 30831 | ||
| <I/σ(I)> | 9.1 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 28.4 | 26.9 | 27.4 |
| CC(1/2) | 0.999 | 0.925 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 50 mM Tris-HCl, 25 mM MgCl2, 18% PEG 3350, 20% glycerol |
