1EG6
CRYSTAL STRUCTURE ANALYSIS OF D(CG(5-BRU)ACG) COMPLEXES TO A PHENAZINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-12-06 |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 29.420, 53.440, 41.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.000 |
| R-factor | 0.2276 |
| Rwork | 0.228 |
| R-free | 0.34690 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SOLVE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.059 | 0.026 |
| Number of reflections | 1566 | |
| <I/σ(I)> | 8.35 | |
| Completeness [%] | 78.8 | 72.6 |
| Redundancy | 4.79 | 1.29 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 * | 291 * | DROP: SODIUM CACODYLATE BUFFER, MAGNESIUM ACETATE, COBALT CHLORIDE, SPERMINE, MPD RESERVOIR: MPD, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 279K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | SODIUM CACODYLATE | ||
| 2 | 1 | 1 | MAGNESIUM ACETATE | ||
| 3 | 1 | 1 | CoCl3 | ||
| 4 | 1 | 1 | SPERMINE | ||
| 5 | 1 | 1 | MPD | ||
| 6 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | DNA | 0.05 (mM) | double stranded conc. |
| 2 | 1 | drop | drug | 0.1 (mM) | |
| 3 | 1 | drop | sodium cacodylate | 8 (mM) | |
| 4 | 1 | drop | 4 (mM) | ||
| 5 | 1 | drop | 2.4 (mM) | ||
| 6 | 1 | drop | 6 (%) | ||
| 7 | 1 | reservoir | MPD | 35 (%) |
