6QE6
Structure of M. capricolum TrmK in complex with the natural cofactor product S-adenosyl-homocysteine (SAH)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-13 |
Detector | DECTRIS PILATUS3 X 2M |
Wavelength(s) | 0.87313 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.760, 131.090, 58.470 |
Unit cell angles | 90.00, 103.88, 90.00 |
Refinement procedure
Resolution | 42.909 - 2.360 |
R-factor | 0.1881 |
Rwork | 0.185 |
R-free | 0.25140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4blv |
RMSD bond length | 0.008 |
RMSD bond angle | 0.906 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.910 | 2.440 |
High resolution limit [Å] | 2.360 | 2.360 |
Rmerge | 0.272 | |
Number of reflections | 24468 | |
<I/σ(I)> | 5.47 | |
Completeness [%] | 99.8 | |
Redundancy | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Li2SO4, 0.1 M HEPES pH 7.5, 25% (w/v) PEG3350 |