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 |