7NRK
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1002F1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-06 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54187 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.252, 111.957, 62.446 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.980 - 1.750 |
R-factor | 0.1845 |
Rwork | 0.183 |
R-free | 0.21570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7aog |
Data reduction software | DIALS |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 33.980 | 33.980 | 1.780 |
High resolution limit [Å] | 1.750 | 9.090 | 1.750 |
Rmerge | 0.099 | 0.030 | 0.468 |
Rmeas | 0.109 | 0.034 | 0.548 |
Rpim | 0.043 | 0.015 | 0.279 |
Total number of observations | 1246 | 4623 | |
Number of reflections | 28225 | 249 | 1321 |
<I/σ(I)> | 13.2 | 30.6 | 2.3 |
Completeness [%] | 96.0 | 98.4 | 82.3 |
Redundancy | 6.1 | 5 | 3.5 |
CC(1/2) | 0.997 | 0.999 | 0.838 |
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 |