7AVT
Crystal structure of SOS1 in complex with compound 7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-07 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.999920 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 84.187, 39.196, 175.938 |
Unit cell angles | 90.00, 90.08, 90.00 |
Refinement procedure
Resolution | 39.010 - 1.880 |
R-factor | 0.2024 |
Rwork | 0.201 |
R-free | 0.25150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7avi |
RMSD bond length | 0.008 |
RMSD bond angle | 0.830 |
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] | 75.980 | 2.103 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.077 | 0.583 |
Number of reflections | 62069 | 1242 |
<I/σ(I)> | 10.6 | 1.7 |
Completeness [%] | 65.7 | 11.7 |
Redundancy | 3.3 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 6-11 % PEG 8000, 2 mM DTT, 60 mM Tris |