7BA5
Cys-42-tethered stabilizer 7 of 14-3-3(sigma)/ERa PPI
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] | 80 |
Detector technology | PIXEL |
Collection date | 2017-05-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.033 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.382, 111.716, 62.135 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.169 - 1.450 |
R-factor | 0.1893 |
Rwork | 0.189 |
R-free | 0.20090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jc3 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (dev_3139) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 65.780 | 65.780 | 1.480 |
High resolution limit [Å] | 1.450 | 7.810 | 1.450 |
Rmerge | 0.085 | 0.041 | 1.472 |
Rmeas | 0.089 | 0.043 | 1.546 |
Rpim | 0.025 | 0.012 | 0.467 |
Total number of observations | 603817 | 4372 | 27230 |
Number of reflections | 48005 | 380 | 2563 |
<I/σ(I)> | 15.7 | 55.5 | 1.7 |
Completeness [%] | 95.1 | 99.8 | 99.9 |
Redundancy | 12.6 | 11.5 | 10.6 |
CC(1/2) | 0.999 | 0.999 | 0.690 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 277 | 0.095 M HEPES, 0.19 M CaCl2, 27% (v/v) PEG400, 5% (v/v) glycerol |