4G14
Crystal structure of samarosporin I at 293K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2012-03-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.7293 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 46.280, 9.170, 25.250 |
| Unit cell angles | 90.00, 116.59, 90.00 |
Refinement procedure
| Resolution | 22.590 - 1.090 |
| R-factor | 0.123 |
| Rwork | 0.120 |
| R-free | 0.17100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4g13 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.590 | 1.120 |
| High resolution limit [Å] | 1.090 | 1.090 |
| Number of reflections | 4194 | |
| <I/σ(I)> | 4.2 | 2.6 |
| Completeness [%] | 99.2 | 99.2 |
| Redundancy | 3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 293 | methanol/water, EVAPORATION, temperature 293K |
