2HRI
A parallel stranded human telomeric quadruplex in complex with the porphyrin TMPyP4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 105 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-06-07 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 37.290, 61.990, 61.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.350 - 2.090 |
| R-factor | 0.20062 |
| Rwork | 0.198 |
| R-free | 0.24833 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a5r |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.160 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.350 | 2.160 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.043 | 0.201 |
| Number of reflections | 4443 | |
| <I/σ(I)> | 18.2 | 6.5 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 5.07 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 285 | 500 mM ammonium sulphate, 80 mM lithium sulphate, 80 mM sodium chloride, 80 mM potassium chloride, 20mM potassium cacodylate, pH 6.5, VAPOR DIFFUSION, temperature 285K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | ammonium sulphate | ||
| 10 | 1 | 2 | potassium chloride | ||
| 11 | 1 | 2 | potassium cacodylate | ||
| 12 | 1 | 2 | H2O | ||
| 2 | 1 | 1 | lithium sulphate | ||
| 3 | 1 | 1 | sodium chloride | ||
| 4 | 1 | 1 | potassium chloride | ||
| 5 | 1 | 1 | potassium cacodylate | ||
| 6 | 1 | 1 | H2O | ||
| 7 | 1 | 2 | ammonium sulphate | ||
| 8 | 1 | 2 | lithium sulphate | ||
| 9 | 1 | 2 | sodium chloride |
