1D3R
CRYSTAL STRUCTURE OF TRIPLEX DNA
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 95 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-09-23 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9200, 0.919392, 0.914982 |
| Spacegroup name | P 42 |
| Unit cell lengths | 53.800, 53.800, 43.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.27500 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.160 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.043 | 0.404 |
| Number of reflections | 127674 | |
| <I/σ(I)> | 13.3 | |
| Completeness [%] | 92.0 | 100 |
| Redundancy | 5.7 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5.04 * | 298 | MPD, NACL, MGCL2, SPERMINE, PH 5.2 AT 298 K, pH 5.20, VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | NACL | ||
| 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 | sodium cacodylate | 0.04 (M) | |
| 2 | 1 | drop | 0.2 (M) | ||
| 3 | 1 | drop | 0.1 (M) | ||
| 4 | 1 | drop | spermine 4HCl | 0.01 (M) | |
| 5 | 1 | drop | 12 (%) | ||
| 6 | 1 | reservoir | MPD | 47 (%) | |
| 7 | 1 | reservoir | 0.17 (M) |
