1DNO
A-DNA/RNA DODECAMER R(GCG)D(TATACGC) MG BINDING SITES
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 1999-11-16 |
| Detector | CUSTOM-MADE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.200, 42.656, 49.315 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.400 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NDB ID ADJ043 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.027 |
| Data reduction software | HKL-2000 |
| Data scaling software | d*TREK |
| Phasing software | X-PLOR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.067 | 0.180 * |
| Number of reflections | 10433 | |
| <I/σ(I)> | 37.3 | 23.8 |
| Completeness [%] | 98.7 | 91.7 |
| Redundancy | 12.1 * | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.5 | 298 | 2-MPD, CACODYLATE, SPERMINE, MGCL2, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | CACODYLATE | ||
| 2 | 1 | 1 | SPERMINE | ||
| 3 | 1 | 1 | MGCL2 | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | DNA duplex | 5 (mM) | 0.0025ml | |
| 2 | 1 | sodium cacodylate | 100 (mM) | 0.0010ml | |
| 3 | 1 | MPD | 20 (%) | 0.005ml | |
| 4 | 1 | spermine | 15 (mM) | 0.0025ml | |
| 5 | 1 | 1 | 100 (mM) | 0.0025ml |
