4X5N
Crystal structure of SemiSWEET in the inward-open and outward-open conformations
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-06 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.010, 34.630, 123.220 |
| Unit cell angles | 90.00, 102.93, 90.00 |
Refinement procedure
| Resolution | 47.135 - 3.000 |
| R-factor | 0.2847 |
| Rwork | 0.281 |
| R-free | 0.32810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4x5m |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.712 |
| Refinement software | PHENIX ((phenix.refine: 1.8.3_1479)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.738 | |
| Number of reflections | 9943 | |
| <I/σ(I)> | 8.2 | 1.7 |
| Completeness [%] | 98.0 | 98.4 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 8 | 293 | 23% PEG550MME, 100mM Tris-HCl (pH 8.0), 350mM NH4-citrate, 3% dimethyl sulfoxide |
