7NIG
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1008
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-29 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54187 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.089, 111.584, 62.692 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.680 - 1.900 |
R-factor | 0.167 |
Rwork | 0.165 |
R-free | 0.20530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7aog |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.680 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.082 | 0.286 |
Rmeas | 0.089 | 0.315 |
Rpim | 0.035 | 0.131 |
Number of reflections | 22988 | 1103 |
<I/σ(I)> | 16.5 | 5.9 |
Completeness [%] | 99.9 | 97.5 |
Redundancy | 6.3 | 5.7 |
CC(1/2) | 0.998 | 0.956 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 277 | 0.095 M HEPES Na pH 7.1, 27% PEG400, 0.19M Calcium chloride, 5% Glycerol |