7BAB
Cys-42-tethered stabilizer 13 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 | 2016-04-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.033 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.720, 112.164, 62.513 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.402 - 1.300 |
R-factor | 0.1936 |
Rwork | 0.193 |
R-free | 0.20110 |
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] | 66.050 | 66.050 | 1.320 |
High resolution limit [Å] | 1.300 | 7.120 | 1.300 |
Rmerge | 0.148 | 0.082 | 3.153 |
Rmeas | 0.154 | 0.085 | 3.287 |
Rpim | 0.042 | 0.024 | 0.916 |
Total number of observations | 915553 | 6143 | 43405 |
Number of reflections | 70776 | 499 | 3463 |
<I/σ(I)> | 10 | 35.4 | 0.9 |
Completeness [%] | 100.0 | 99.9 | 99.9 |
Redundancy | 12.9 | 12.3 | 12.5 |
CC(1/2) | 0.998 | 0.998 | 0.355 |
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 |