428D
STRUCTURE OF THE POTASSIUM FORM OF CGCGAATTCGCG: DNA DEFORMATION BY ELECTROSTATIC COLLAPSE AROUND SMALL CATIONS
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 163 |
| Detector technology | CCD |
| Collection date | 1998-06-22 |
| Detector | SIEMENS 1K |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.296, 40.244, 65.939 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.750 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | BDL084 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.020 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 10.000 |
| High resolution limit [Å] | 1.500 |
| Rmerge | 0.101 |
| Total number of observations | 60696 * |
| Number of reflections | 11376 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 22 * | pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | POTASIUM CACODYLATE | ||
| 2 | 1 | 1 | MGCL2 | ||
| 3 | 1 | 1 | SPERMINE | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 1.0 (mM) | |
| 2 | 1 | drop | potassium cacodylate | 19 (mM) | |
| 3 | 1 | drop | 10 (mM) | ||
| 4 | 1 | drop | 4.8 (%) | ||
| 5 | 1 | drop | spermine tetrahydrochloride | 8.9 (mM) | |
| 6 | 1 | reservoir | MPD | 50 (%) |
