6QDU
Crystal structure of 14-3-3sigma in complex with a RapGef2 pT740 phosphopeptide inhibited by semi-synthetic fusicoccane FC-NCPC
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-18 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.5419 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.854, 111.737, 62.802 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.880 - 1.632 |
R-factor | 0.1756 |
Rwork | 0.174 |
R-free | 0.19630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jc3 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.880 | 29.880 | 1.660 |
High resolution limit [Å] | 1.630 | 4.430 | 1.630 |
Rmeas | 0.111 | 0.038 | 0.730 |
Rpim | 0.045 | 0.016 | 0.489 |
Total number of observations | 182138 | 10901 | 525 |
Number of reflections | 33442 | 1947 | 444 |
<I/σ(I)> | 11 | 28.8 | 0.9 |
Completeness [%] | 91.3 | 99.2 | 24.4 |
Redundancy | 5.4 | 5.6 | 1.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.19 M CaCl2, 5% v/v glycerol, 28 % PEG 400, 0.095 M HEPES, pH 7.1 |