7ZLN
Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 11
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-31 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.687, 52.258, 77.491 |
Unit cell angles | 90.00, 107.94, 90.00 |
Refinement procedure
Resolution | 53.930 - 2.600 |
R-factor | 0.2827 |
Rwork | 0.280 |
R-free | 0.33380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | SBC |
RMSD bond length | 0.002 |
RMSD bond angle | 0.553 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.010 | 2.670 |
High resolution limit [Å] | 2.600 | 2.600 |
Rpim | 0.763 | |
Number of reflections | 13506 | 962 |
<I/σ(I)> | 2.9 | |
Completeness [%] | 99.9 | |
Redundancy | 3.7 | |
CC(1/2) | 0.103 | 0.005 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 100mM Tris-bicine, PEG8K (9-14%), ethylene glycol (26-20%) with seeding |