7ZLP
Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 9
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 | 56.153, 52.282, 77.453 |
Unit cell angles | 90.00, 108.45, 90.00 |
Refinement procedure
Resolution | 42.600 - 1.940 |
R-factor | 0.2001 |
Rwork | 0.198 |
R-free | 0.24010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | SBC |
RMSD bond length | 0.008 |
RMSD bond angle | 0.955 |
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] | 53.280 | 1.990 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.196 | |
Rmeas | 0.214 | |
Rpim | 0.083 | |
Number of reflections | 31861 | 2327 |
<I/σ(I)> | 5.6 | |
Completeness [%] | 100.0 | |
Redundancy | 6.6 | |
CC(1/2) | 0.082 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 100mM Tris-bicine pH(6.5-7), PEG 8K(9-14%), Ethylene glycol (26-20%) |