1E9W
Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 26.577, 26.577, 27.436 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.020 |
| R-factor | 0.1173 * |
| R-free | 0.14230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SEE REFERENCE |
| RMSD bond length | 0.019 |
| RMSD bond angle | 0.047 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.040 |
| High resolution limit [Å] | 1.020 | 1.020 |
| Rmerge | 0.033 | 0.152 |
| Total number of observations | 22556 * | |
| Number of reflections | 5232 | |
| <I/σ(I)> | 33.8 | 5.4 |
| Completeness [%] | 96.7 | 74.6 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 7 | 1ML 15.38MG/ML THIOSTREPTON IN CHLOROFORM_ISOAMYL ALCOHOL + 100 MICROL GLYCEROL + 200 MICROL ETHANOL. BATCH METHOD, pH 7.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 100mg | |
| 2 | 1 | 1 | chloroform/isoamyl alcohol | 6.5ml | |
| 3 | 1 | 1 | glycerol | 0.100ml | |
| 4 | 1 | 1 | ethanol | 0.200ml |
