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SOLVENT ORGANIZATION IN AN OLIGONUCLEOTIDE CRYSTAL: THE STRUCTURE OF D(GCGAATTCG)2 AT ATOMIC RESOLUTION
Replaces: 475DExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-08-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 21.938, 36.540, 52.728 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 0.890 |
| R-factor | 0.135 |
| Rwork | 0.135 |
| R-free | 0.16100 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 0.900 |
| High resolution limit [Å] | 0.890 | 0.890 |
| Rmerge | 0.059 | 0.300 |
| Number of reflections | 32684 | |
| Completeness [%] | 97.6 | 59 |
| Redundancy | 6.9 | 1.43 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 7 * | 20 * | ACRIDINE-(ARG)4 ADDUCT, CACODYLATE, MGCL2, MPD, pH 7.1, vapor diffusion at 293K, VAPOR DIFFUSION |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | ACRIDINE-(ARG)4 ADDUCT | ||
| 2 | 1 | 1 | CACODYLATE | ||
| 3 | 1 | 1 | MGCL2 | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 2 | MGCL2 | ||
| 6 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | DNA duplex | 0.5 (mM) | ||
| 2 | 1 | acridine-(Arg4) drug-peptide aduct | 1 (mM) | ||
| 3 | 1 | sodium cacodylate | 20 (mM) | ||
| 5 | 1 | 1 | MPD | 35 (%) |
