3GOJ
Barium bound to the Holliday sequence d(CCGGCGCCGG)4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | OXFORD SAPPHIRE CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 65.243, 24.241, 37.281 |
Unit cell angles | 90.00, 110.17, 90.00 |
Refinement procedure
Resolution | 15.615 - 2.600 |
R-factor | 0.241 |
Rwork | 0.236 |
R-free | 0.34700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1p4y |
RMSD bond length | 0.009 |
RMSD bond angle | 1.903 |
Data reduction software | CrysalisPro (Red) |
Data scaling software | CrysalisPro (Red) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.615 | 2.668 |
High resolution limit [Å] | 2.601 | 2.601 |
Rmerge | 0.058 | 0.193 |
Number of reflections | 1757 | |
<I/σ(I)> | 2.18 | |
Completeness [%] | 98.6 | 98.6 |
Redundancy | 2.8 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 290 | BaCl2, MPD, NaCacodylate , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | BaCl2 | ||
2 | 1 | 1 | MPD | ||
3 | 1 | 1 | Na Cacodylate | ||
4 | 1 | 2 | BaCl2 | ||
5 | 1 | 2 | MPD | ||
6 | 1 | 2 | Na Cacodylate |