330D
BASE-PAIRING SHIFT IN THE MAJOR GROOVE OF (CA)N TRACTS BY B-DNA CRYSTAL STRUCTURES
Experimental procedure
Source type | ROTATING ANODE |
Temperature [K] | 258 |
Detector technology | AREA DETECTOR |
Detector | SIEMENS |
Spacegroup name | H 3 |
Unit cell lengths | 65.890, 65.890, 47.090 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 7.000 - 2.700 |
R-factor | 0.17 |
Rwork | 0.170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | B-DNA DODECAMER |
RMSD bond length | 0.006 |
RMSD bond angle | 29.200 * |
Data reduction software | XENGEN |
Phasing software | ULTIMA |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.000 |
High resolution limit [Å] | 2.700 |
Rmerge | 0.054 |
Number of reflections | 1710 |
Completeness [%] | 94.0 |
Redundancy | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 277 | pH 6.00, VAPOR DIFFUSION, temperature 277.00K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | WATER | ||
2 | 1 | 1 | MPD | ||
3 | 1 | 1 | CACODYLATE | ||
4 | 1 | 1 | SPERMINE | ||
5 | 1 | 1 | MG ACETATE | ||
6 | 1 | 2 | WATER | ||
7 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | cacodylate | 50 (mM) | |
2 | 1 | drop | dodecamer duplex | 1 (mM) | |
3 | 1 | drop | spermine tetrachloride | 1.2 (mM) | |
4 | 1 | drop | magnesium acetate | 16 (mM) | |
5 | 1 | drop | 2,4-methypentanediol | 45 (%) |