7NMW
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 40
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.496, 111.935, 62.644 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.970 - 1.500 |
R-factor | 0.1556 |
Rwork | 0.154 |
R-free | 0.18020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jc3 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.942 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.970 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.101 | 0.251 |
Number of reflections | 46335 | 4379 |
<I/σ(I)> | 17.09 | 7.55 |
Completeness [%] | 99.1 | |
Redundancy | 12.8 | |
CC(1/2) | 0.996 | 0.974 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 0.095 M Hepes pH 7.5, 26% PEG 400, 0.19 M CaCl2 and 5% Glycerol |