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 |