1QFI
SYNTHESIS AND STRUCTURE OF PROLINE RING MODIFIED ACTINOMYCINS OF X TYPE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 153 |
| Detector technology | AREA DETECTOR |
| Detector | SIEMENS HI-STAR |
| Spacegroup name | P 1 |
| Unit cell lengths | 15.594, 16.009, 25.322 |
| Unit cell angles | 86.23, 85.16, 69.65 |
Refinement procedure
| Resolution | 25.150 - 0.910 |
| Structure solution method | DIRECT METHODS |
| RMSD bond length | 0.019 |
| RMSD bond angle | 0.000 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.150 | 1.000 |
| High resolution limit [Å] | 0.910 | 0.910 |
| Rmerge | 0.047 | 0.115 |
| Number of reflections | 15506 | |
| <I/σ(I)> | 43.4 | 14.7 |
| Completeness [%] | 94.2 | 82.9 |
| Redundancy | 4.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | PH 5.00 |
