7ERK
Crystal structure of V30M-TTR in complex with dasatinib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.174, 85.644, 63.609 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.723 - 1.703 |
R-factor | 0.1912 |
Rwork | 0.190 |
R-free | 0.22150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pwe |
RMSD bond length | 0.005 |
RMSD bond angle | 0.878 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.550 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmeas | 0.090 | 0.801 |
Rpim | 0.040 | 0.350 |
Number of reflections | 26333 | 2512 |
<I/σ(I)> | 12.7 | 2.3 |
Completeness [%] | 99.2 | 95.8 |
Redundancy | 5 | |
CC(1/2) | 0.998 | 0.814 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG400, CaCl2, NaOAc |