8IPP
Crystal structure of the complex between an ankyrin and a parallel G-quadruplex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-12-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.953732 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 76.759, 83.587, 31.858 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.380 - 2.007 |
Rwork | 0.211 |
R-free | 0.22380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.971 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.410 | 2.082 |
High resolution limit [Å] | 2.007 | 2.010 |
Number of reflections | 14343 | 1383 |
<I/σ(I)> | 17.34 | |
Completeness [%] | 99.1 | |
Redundancy | 12.9 | |
CC(1/2) | 0.999 | 0.979 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M potassium chloride, 0.01 M magnesium chloride hexahydrate, 0.05 M MES monohydrate pH 5.6, 5% w/v polyethylene glycol 8,000 |