6YR7
14-3-3 sigma in complex with hDMX-342+367 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-04 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 133.106, 70.213, 80.626 |
| Unit cell angles | 90.00, 101.97, 90.00 |
Refinement procedure
| Resolution | 56.264 - 2.105 |
| R-factor | 0.2139 |
| Rwork | 0.212 |
| R-free | 0.24620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lw1 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.492 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 65.110 | 65.110 | 2.170 |
| High resolution limit [Å] | 2.100 | 8.930 | 2.100 |
| Rmerge | 0.045 | 0.016 | 0.460 |
| Rmeas | 0.064 | 0.023 | 0.651 |
| Rpim | 0.045 | 0.016 | 0.460 |
| Total number of observations | 1079 | 6307 | |
| Number of reflections | 42044 | 595 | 3214 |
| <I/σ(I)> | 5 | 7.6 | 1.4 |
| Completeness [%] | 99.3 | 99.8 | 93 |
| Redundancy | 2 | 1.8 | 2 |
| CC(1/2) | 0.997 | 0.998 | 0.715 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | Sodium citrate tribasic dihydrate, PEG3350, Bis-Tris propane pH8 |
