4NYA
Crystal structure of the E. coli thiM riboswitch in complex with 5-(azidomethyl)-2-methylpyrimidin-4-amine
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 | 2012-11-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 149.730, 29.890, 95.430 |
| Unit cell angles | 90.00, 93.94, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.650 |
| Rwork | 0.225 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gdi |
| 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 | 2.700 |
| High resolution limit [Å] | 2.650 | 7.160 | 2.650 |
| Rmerge | 0.145 | 0.084 | 0.571 |
| Number of reflections | 11991 | ||
| <I/σ(I)> | 7.6 | ||
| Completeness [%] | 93.3 | 89.4 | 90.2 |
| Redundancy | 3.3 | 3.2 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 294 | 30% PEG4000, 0.1 M sodium acetate, pH 5.1, 0.3 M ammonium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
