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 (%) |
