8W3U
Structure of Epimerase Mth373 from the thermophilic pseudomurein-containing methanogen Methanothermobacter thermautotrophicus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-09-21 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 54.481, 81.380, 152.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.270 - 2.000 |
| R-factor | 0.16546 |
| Rwork | 0.163 |
| R-free | 0.20391 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.533 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.270 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.192 | 0.768 |
| Rmeas | 0.207 | 0.827 |
| Rpim | 0.076 | 0.304 |
| Total number of observations | 343400 | 24052 |
| Number of reflections | 46865 | 3329 |
| <I/σ(I)> | 9.4 | 2.7 |
| Completeness [%] | 99.8 | |
| Redundancy | 7.3 | 7.2 |
| CC(1/2) | 0.994 | 0.796 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 294 | 0.2 M MgCl2, 0.1 M sodium citrate tribasic dihydrate, 10% w/v polyethylene glycol (PEG) 20,000 |
