6SJR
Methyltransferase of the MtgA N227A mutant from Desulfitobacterium hafniense in complex with tetrahydrofolate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.020, 84.010, 86.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.750 |
R-factor | 0.1697 |
Rwork | 0.169 |
R-free | 0.18870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6sj8 |
RMSD bond length | 0.002 |
RMSD bond angle | 1.198 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.850 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.092 | 0.564 |
Number of reflections | 55277 | 8166 |
<I/σ(I)> | 11.2 | 2.4 |
Completeness [%] | 97.9 | 95.4 |
Redundancy | 4 | |
CC(1/2) | 0.997 | 0.798 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 100 mM HEPES, 27% PEG 3350 |