367D
1.2 A STRUCTURE DETERMINATION OF THE D(CG(5-BRU)ACG)2/5-BROMO-9-AMINO-DACA COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-04-20 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 |
| Unit cell lengths | 30.096, 30.096, 39.547 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 100.000 - 1.200 |
| R-factor | 0.178 |
| RMSD bond angle | 0.005 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | SHELXL |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 12.000 |
| High resolution limit [Å] | 1.200 |
| Rmerge | 0.070 |
| Number of reflections | 11570 |
| Completeness [%] | 92.3 |
| Redundancy | 3.242 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.50 |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | WATER | 2 | 3 |
| 2 | 1 | 1 | CACODYLATE | 5 | 6 |
| 3 | 1 | 1 | MG2+ | 8 | 9 |
| 4 | 1 | 1 | SPERMINE | 11 | 12 |
| 5 | 1 | 1 | MPD | 14 | 15 |
