8GJV
Chemical synthesis of maxamycins: Intermediate compound 10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-06-29 |
| Detector | BRUKER SMART 2000 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 23.582, 19.693, 51.816 |
| Unit cell angles | 90.00, 96.61, 90.00 |
Refinement procedure
| Resolution | 25.750 - 0.900 |
| Rwork | 0.118 |
| R-free | 0.13200 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.039 |
| RMSD bond angle | 3.944 |
| Data reduction software | APEX 2 |
| Data scaling software | APEX 2 |
| Phasing software | SHELXT |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.750 | 0.920 |
| High resolution limit [Å] | 0.897 | 0.900 |
| Rmerge | 0.086 | 0.539 |
| Number of reflections | 35666 | |
| <I/σ(I)> | 8.5 | 1.3 |
| Completeness [%] | 99.5 | 89.6 |
| Redundancy | 5.92 | 2.22 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 293 | Slow evaporation from methanol/acetone/CH2Cl2 |
