4NYG
Crystal structure of the E. coli thiM riboswitch in complex with thiamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.99999 |
| Spacegroup name | P 32 1 2 |
| Unit cell lengths | 61.503, 61.503, 103.935 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 3.050 |
| Rwork | 0.249 |
| R-free | 0.32290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hoj |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.062 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 3.100 |
| High resolution limit [Å] | 3.050 | 8.220 | 3.050 |
| Rmerge | 0.164 | 0.130 | 0.696 |
| Number of reflections | 4410 | ||
| <I/σ(I)> | 12.9 | ||
| Completeness [%] | 99.9 | 98.4 | 99.1 |
| Redundancy | 11.3 | 10.5 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 30% PEG2000, 0.35 M ammonium chloride, 50 mM succinate/KOH, pH 7.0, 10 mM zinc chloride, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
