3G2A
Crystal structure of d(CACGCG).d(CGCGTG) grown in presence of 1mM MnCl2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-09-09 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 17.835, 30.907, 44.731 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.000 |
| R-factor | 0.23892 |
| Rwork | 0.239 |
| R-free | 0.24078 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.027 |
| RMSD bond angle | 3.767 |
| Data reduction software | AUTOMAR |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.105 | 0.289 |
| Number of reflections | 1819 | |
| <I/σ(I)> | 4.1 | 1.2 |
| Completeness [%] | 95.2 | 99.4 |
| Redundancy | 4.56 | 4.69 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.99 | 293 | 50mM Sodium Cacodylate, 1mM MnCl2, 1mM Spermine, 50% Methyl pentane diol, pH 6.99, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Sodium cacoldylate | ||
| 2 | 1 | 1 | MnCl2 | ||
| 3 | 1 | 1 | Spermine | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 2 | Sodium cacoldylate | ||
| 6 | 1 | 2 | MnCl2 | ||
| 7 | 1 | 2 | MPD |
