8PJL
DNA duplex forming base triplets in minor groove
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU PhotonJet-S |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-06-16 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 |
Unit cell lengths | 39.833, 39.833, 58.964 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.870 - 2.000 |
R-factor | 0.1929 |
Rwork | 0.191 |
R-free | 0.23530 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.632 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless |
Phasing software | SHELXDE |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.650 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.150 | 1.100 |
Rpim | 0.071 | |
Number of reflections | 6283 | 462 |
<I/σ(I)> | 9.4 | |
Completeness [%] | 99.9 | |
Redundancy | 10.7 | |
CC(1/2) | 0.990 | 0.790 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 278 | A solution containing 20mM Na-cacodylate, 10 mM MgCl2, 0.6mM DNA was mixed in a 1:1 ratio with a solution containing 56.25% v/v (+/-)-2-methyl-2,4-pentanediol, 30 mM Na-cacodylate pH 6.0, 30 mM Na-cacodylate 3H2O, 12mM SrCl2 6H2O. Total drop volume was 400nL |