6WTE
Structure of radical S-adenosylmethionine methyltransferase, TsrM, from Kitasatospora setae with cobalamin and [4Fe-4S] cluster bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.368, 103.759, 105.970 |
Unit cell angles | 90.00, 95.08, 90.00 |
Refinement procedure
Resolution | 43.140 - 1.670 |
R-factor | 0.1911 |
Rwork | 0.190 |
R-free | 0.21460 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.732 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AutoSol |
Refinement software | PHENIX (1.18_3845) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.730 |
High resolution limit [Å] | 1.660 | 1.660 |
Rpim | 0.340 | |
Number of reflections | 123027 | 12117 |
<I/σ(I)> | 9.44 | 2.19 |
Completeness [%] | 99.8 | |
Redundancy | 7.3 | |
CC(1/2) | 0.800 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M sodium acetate, 0.1 M MES, pH 6.5, and 15% (w/v) PEG 8000 |