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 (%) |