7TDC
Crystal structure of the E. coli thiM riboswitch in complex with thiamine bisphosphonate, calcium ions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-21 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 32 1 2 |
Unit cell lengths | 65.006, 65.006, 101.274 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 56.300 - 2.460 |
R-factor | 0.215 |
Rwork | 0.211 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hoj |
RMSD bond length | 0.005 |
RMSD bond angle | 1.116 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.300 | 2.560 |
High resolution limit [Å] | 2.460 | 2.460 |
Rmerge | 0.098 | 3.730 |
Number of reflections | 9133 | 1026 |
<I/σ(I)> | 13.9 | 0.7 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 13.8 | 12.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | RNA (0.15 mM) was incubated in a buffer containing 5 mM Tris-HCl, pH 8.0, 3 mM MgCl2, 10 mM NaCl, 0.1 M KCl, and 0.5 mM spermine with 0.75 mM TPPc. Reservoir solution was 50 mM sodium cacodylate, pH 6.0, 0.3 M NH4Cl, 10 mm CaCl2, and 30% (v/v) PEG2000 |