9AXY
Crystal structure of BRAF/MEK complex with NST-628 and inactive RAF
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-12-16 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 117.097, 117.097, 129.424 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.210 - 3.600 |
R-factor | 0.1903 |
Rwork | 0.188 |
R-free | 0.23750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.650 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.340 | 3.940 |
High resolution limit [Å] | 3.600 | 3.600 |
Rmerge | 0.257 | 0.918 |
Number of reflections | 12215 | 2810 |
<I/σ(I)> | 8.5 | |
Completeness [%] | 99.5 | |
Redundancy | 12.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.2 M Lithium chloride, 0.1 M TRIS pH 8, 20% w/v PEG 8000 |