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 |