6T80
Human 14-3-3 sigma fused to the AANAT peptide including phosphoserine-205
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) | 0.91587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.260, 74.100, 102.090 |
| Unit cell angles | 90.00, 96.03, 90.00 |
Refinement procedure
| Resolution | 63.510 - 2.990 |
| R-factor | 0.202 |
| Rwork | 0.200 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lu2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.180 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.740 | 74.740 | 3.070 |
| High resolution limit [Å] | 2.990 | 13.370 | 2.990 |
| Rmerge | 0.217 | 0.080 | 1.105 |
| Rmeas | 0.251 | 0.092 | 1.288 |
| Rpim | 0.124 | 0.043 | 0.651 |
| Total number of observations | 91716 | 1146 | 6480 |
| Number of reflections | 22776 | 282 | 1680 |
| <I/σ(I)> | 3.8 | 9.9 | 1 |
| Completeness [%] | 99.9 | 99.6 | 99.9 |
| Redundancy | 4 | 4.1 | 3.9 |
| CC(1/2) | 0.987 | 0.998 | 0.494 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 0.1 M MIB mix (sodium malonate dibasic monohydrate, imidazole, boric acid), 25% w/v polyethylene glycol 1500, pH 7.0 |
