6T5H
Human 14-3-3 sigma fused to the StARD1 peptide including phosphoserine-57
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-28 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.915870 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.170, 78.350, 76.060 |
| Unit cell angles | 90.00, 100.42, 90.00 |
Refinement procedure
| Resolution | 49.130 - 2.040 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5om0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.990 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.140 | 2.110 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.106 | 1.310 |
| Rmeas | 0.122 | 1.500 |
| Number of reflections | 33161 | 3283 |
| <I/σ(I)> | 8.4 | 1.1 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 4.2 | 4.1 |
| CC(1/2) | 0.997 | 0.550 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 279 | 0.09 M NPS mix (0.3 M sodium nitrate, 0.3 M sodium phosphate dibasic, 0.3 M ammonium sulfate), 0.1 M Buffer mix (1.0 M Imidazole; MES), 25% v/v MPD; 25% polyethylene glycol 1000; 25% w/v polyethylene glycol 3350, pH 6.5 |
