5UA3
Crystal Structure of a DNA G-Quadruplex with a Cytosine Bulge
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-02-07 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54187 |
| Spacegroup name | P 1 |
| Unit cell lengths | 30.103, 33.100, 33.282 |
| Unit cell angles | 64.65, 78.64, 81.78 |
Refinement procedure
| Resolution | 19.494 - 1.880 |
| R-factor | 0.2288 |
| Rwork | 0.227 |
| R-free | 0.24740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xav |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.067 |
| Data reduction software | DENZO (v706) |
| Data scaling software | SCALEPACK (v706) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.302 | 20.302 | 1.910 |
| High resolution limit [Å] | 1.796 | 1.880 | 1.796 |
| Rmerge | 0.072 | 0.069 | 0.806 |
| Number of reflections | 9658 | ||
| <I/σ(I)> | 9 | 9.7 | 1.5 |
| Completeness [%] | 96.0 | 95.99 | 66.23 |
| Redundancy | 3.8 | 3.9 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 2.5 M NaCl, 10% v/v ethanol, 0.1 M sodium cacodylate, G4R1 53-105 peptide (UniProtKB Q9H2U1/DHX36_HUMAN, amino acid residues 53-105) |
