6R1E
Structure of dodecin from Streptomyces coelicolor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-10-10 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 92.945, 92.945, 227.845 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 11.860 - 2.600 |
| R-factor | 0.19867 |
| Rwork | 0.198 |
| R-free | 0.24286 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yiz |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.847 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 11.900 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.036 | 0.403 |
| Number of reflections | 11644 | 549 |
| <I/σ(I)> | 28.6 | 3.72 |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 5.75 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 291 | 10% PEG4000, 0.1 M NaOAc, 0.2 M AS, 16.5 mg/mL ScDodecin |
