7ZLS
co-crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 13
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 | 2020-02-24 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9201 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.549, 172.641, 185.475 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.180 - 1.920 |
| R-factor | 0.204 |
| Rwork | 0.202 |
| R-free | 0.23760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SBC |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.932 |
| 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] | 63.180 | 1.950 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.097 | |
| Number of reflections | 146767 | 7206 |
| <I/σ(I)> | 13.8 | |
| Completeness [%] | 100.0 | |
| Redundancy | 13.2 | |
| CC(1/2) | 0.990 | 0.407 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.2 M Potassium sodium tartrate tetrahydrate, 0.1 M Bis-Tris propane 6.5, 20 % w/v PEG 3350 |
