6PNL
Structure of Epimerase Mth375 from the thermophilic pseudomurein-containing methanogen Methanothermobacter thermautotrophicus
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 | 2017-02-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.953653 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 89.311, 89.311, 174.695 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.520 - 2.010 |
R-factor | 0.1633 |
Rwork | 0.162 |
R-free | 0.18950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6pmh |
RMSD bond length | 0.008 |
RMSD bond angle | 1.399 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.520 | 46.520 | 2.070 |
High resolution limit [Å] | 2.010 | 9.000 | 2.010 |
Rmerge | 0.192 | 0.074 | 0.987 |
Total number of observations | 5611 | 36611 | |
Number of reflections | 28060 | 405 | 1958 |
<I/σ(I)> | 16.1 | 27.5 | 4.6 |
Completeness [%] | 99.7 | 99.3 | 96.3 |
Redundancy | 19.3 | 13.9 | 18.7 |
CC(1/2) | 0.996 | 0.995 | 0.867 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 0.1 M Sodium chloride, 1.6 M Ammonium sulfate 0.1 M Sodium HEPES, 3.0% w/v 1,8-Diaminooctane |