9AR1
Structure of Epimerase Mth373 bound to uridine-5'-diphosphate-xylopyranose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95368 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 139.327, 139.327, 226.946 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.750 - 1.970 |
| R-factor | 0.17233 |
| Rwork | 0.171 |
| R-free | 0.20416 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.597 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.750 | 2.010 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.162 | 0.615 |
| Rmeas | 0.167 | 0.633 |
| Rpim | 0.037 | 0.145 |
| Total number of observations | 60087 | |
| Number of reflections | 59615 | 3405 |
| <I/σ(I)> | 16.3 | 5.3 |
| Completeness [%] | 98.6 | |
| Redundancy | 19.9 | 17.6 |
| CC(1/2) | 0.996 | 0.951 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.1 M sodium citrate tribasic dihydrate, 18% w/v PEG 3,350 |
