372D
STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG)
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | ELLIOTT GX-21 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-01-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 41.770, 41.770, 25.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.600 |
| R-factor | 0.181 * |
| Rwork | 0.181 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 9.810 * |
| Data reduction software | MARXDS |
| Data scaling software | MARSCALE |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.620 |
| High resolution limit [Å] | 2.500 | 2.520 |
| Rmerge | 0.081 | 0.300 |
| Number of reflections | 733 | |
| Completeness [%] | 98.2 | 100 |
| Redundancy | 7.405 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 | pH 6.00 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | ||
| 2 | 1 | 1 | SPERMINE | ||
| 3 | 1 | 1 | NACL | ||
| 4 | 1 | 1 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | d | Na-cacodylate | 25 (mM) | |
| 2 | 1 | drop | duplex | 0.50 (mM) | |
| 3 | 1 | drop | spermine | 1.0 (mM) | |
| 4 | 1 | drop | 50.0 (mM) | ||
| 5 | 1 | reservoir | MPD | 33.1 (%) |
