8I50
Crystal structure of DNA octamer containing GuNA[Me,Me]
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 90 |
Detector technology | PIXEL |
Collection date | 2019-06-26 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9199 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 32.266, 32.266, 80.672 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 26.400 - 0.950 |
R-factor | 0.1705 |
Rwork | 0.168 |
R-free | 0.19440 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 2.134 |
Data reduction software | XDS (Version Mar 15,2919) |
Data scaling software | Aimless |
Phasing software | AutoSol |
Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.340 | 0.970 |
High resolution limit [Å] | 0.950 | 0.950 |
Rmerge | 0.056 | 1.255 |
Rmeas | 0.780 | |
Rpim | 0.014 | 0.458 |
Number of reflections | 16392 | 720 |
<I/σ(I)> | 34.6 | 1.6 |
Completeness [%] | 99.5 | |
Redundancy | 18.3 | 8.1 |
CC(1/2) | 0.998 | 0.646 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 10% v/v (+/-)-2-Methyl-2,4-pentanediol, 0.040M Sodium cacodylate trihydrate pH 7.0, 0.012M Spermine tetrahydrochloride, 0.080M Potassium chloride, 0.020M Magnesium chloride hexahydrate |