2QBZ
Structure of the M-Box Riboswitch Aptamer Domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9786 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 48.655, 101.081, 285.765 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.670 - 2.600 |
| R-factor | 0.204 |
| Rwork | 0.202 |
| R-free | 0.24600 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.730 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.107 | 0.405 |
| Number of reflections | 22584 | |
| <I/σ(I)> | 6.8 | 3 |
| Completeness [%] | 99.3 | 98.7 |
| Redundancy | 4.4 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | HEPES, MPD, Spermine, KCl, MgCl2 over 35 % MPD, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | HEPES, MPD, Spermine, KCl, MgCl2 over 35 % MPD, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | HEPES, MPD, Spermine, KCl, MgCl2 over 35 % MPD, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | HEPES | ||
| 10 | 2 | 1 | Spermine | ||
| 11 | 2 | 1 | CsCl | ||
| 12 | 2 | 1 | MgCl2 | ||
| 2 | 1 | 1 | MPD | ||
| 3 | 1 | 2 | MPD | ||
| 4 | 1 | 1 | Spermine | ||
| 5 | 1 | 1 | KCl | ||
| 6 | 1 | 1 | MgCl2 | ||
| 7 | 2 | 1 | HEPES | ||
| 8 | 2 | 1 | MPD | ||
| 9 | 2 | 2 | MPD |
