3GCA
The structural basis for recognition of the preQ0 metabolite by an unusually small riboswitch aptamer domain
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-29 |
| Detector | Quantum 315 CCD detector |
| Wavelength(s) | 1.1395, 1.1407, 0.97622, 1.1395 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 110.500, 110.500, 59.310 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.330 - 2.750 |
| Rwork | 0.245 |
| R-free | 0.27200 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Number of reflections | 5990 | |
| <I/σ(I)> | 36.47 | 6.5 |
| Completeness [%] | 97.6 | 98.5 |
| Redundancy | 16.6 | 15.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 1.8 M Li2SO4, 0.10 M Na-cacodylate pH 6.0, 0.01 M Mg(SO4)2-, 5% (v/v) 1,3-propanediol and 2 mM spermine., VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Li2SO4 | ||
| 2 | 1 | 1 | Na-cacodylate | ||
| 3 | 1 | 1 | Mg(SO4)2 | ||
| 4 | 1 | 1 | 1,3-Propanediol | ||
| 5 | 1 | 1 | Spermine | ||
| 6 | 1 | 2 | Li2SO4 | ||
| 7 | 1 | 2 | Na-cacodylate | ||
| 8 | 1 | 2 | Mg(SO4)2 | ||
| 9 | 1 | 2 | 1,3-Propanediol |
