7AVI
Crystal structure of SOS1 in complex with compound 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-27 |
| Detector | RIGAKU |
| Wavelength(s) | 1.541800 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.277, 84.441, 174.838 |
| Unit cell angles | 90.00, 90.12, 90.00 |
Refinement procedure
| Resolution | 30.446 - 1.930 |
| R-factor | 0.2116 |
| Rwork | 0.210 |
| R-free | 0.24470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ii0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.820 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC (1.1.7) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.446 | 2.164 |
| High resolution limit [Å] | 1.930 | 1.943 |
| Rmerge | 0.069 | 0.881 |
| Number of reflections | 56578 | 2383 |
| <I/σ(I)> | 6.6 | 1.5 |
| Completeness [%] | 10.0 | 9.3 |
| Redundancy | 1.1 | 1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 6-11 % PEG 4000, 60 mM Tris, 2 mM DTT |
