6PMH
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 MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-27 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.911700 |
Spacegroup name | H 3 2 |
Unit cell lengths | 113.815, 113.815, 239.873 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.270 - 2.300 |
R-factor | 0.1487 |
Rwork | 0.147 |
R-free | 0.17760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pzj |
RMSD bond length | 0.012 |
RMSD bond angle | 1.607 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER (2.6.1) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.270 | 48.270 | 2.380 |
High resolution limit [Å] | 2.300 | 8.910 | 2.300 |
Rmerge | 0.176 | 0.041 | 0.763 |
Total number of observations | 4916 | 29548 | |
Number of reflections | 26918 | 521 | 2607 |
<I/σ(I)> | 15.1 | 46.4 | 3.7 |
Completeness [%] | 100.0 | 99.4 | 100 |
Redundancy | 11.1 | 9.4 | 11.3 |
CC(1/2) | 0.996 | 0.999 | 0.905 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 294 | 1.0 M ammonium dihydrogen phosphate, 0.1 M tri-sodium citrate, Silver Bullets Bio condition H9 |