5J31
Crystal structure of 14-3-3zeta in complex with an alkyne cross-linked cyclic peptide derived from ExoS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 83.940, 105.580, 114.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.940 - 2.400 |
R-factor | 0.1659 |
Rwork | 0.163 |
R-free | 0.21860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fj3 |
RMSD bond length | 0.019 |
RMSD bond angle | 3.387 |
Data reduction software | XDS (2015) |
Data scaling software | XSCALE (2015) |
Phasing software | PHASER (2.5.1) |
Refinement software | REFMAC (2.5.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.940 | 2.600 | |
High resolution limit [Å] | 2.400 | 40.000 | 2.400 |
Rmerge | 0.053 | 0.027 | 0.508 |
Number of reflections | 40511 | ||
<I/σ(I)> | 29.54 | 55.31 | 5.88 |
Completeness [%] | 100.0 | 37.5 | 100 |
Redundancy | 13.28 | 7.17 | 13.79 |
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 1.26 M Tri-Sodium Citrate, 0.09 M HEPES pH 7.5, 10% Glycerol |