3F4H
Crystal structure of the FMN riboswitch bound to roseoflavin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 70.726, 70.726, 135.575 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 3.000 |
| R-factor | 0.19243 |
| Rwork | 0.191 |
| R-free | 0.22836 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f4e |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.017 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.067 | 0.458 |
| Number of reflections | 8332 | |
| <I/σ(I)> | 56 | 4.7 |
| Completeness [%] | 99.6 | 98.5 |
| Redundancy | 13.5 | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 293 | 0.1 M Tris-HCl 8% PEG4000 0.2 M MgCl2, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Tris-HCL | ||
| 2 | 1 | 1 | PEG4000 | ||
| 3 | 1 | 1 | MgCl2 | ||
| 4 | 1 | 2 | Tris-HCL | ||
| 5 | 1 | 2 | PEG4000 | ||
| 6 | 1 | 2 | MgCl2 |
