6TU9
The ROR1 Pseudokinase Domain Bound To Ponatinib
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 | 2018-12-07 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.99999 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.290, 85.969, 72.980 |
Unit cell angles | 90.00, 91.05, 90.00 |
Refinement procedure
Resolution | 42.980 - 1.940 |
R-factor | 0.2105 |
Rwork | 0.209 |
R-free | 0.24140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gt4 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.847 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.980 | 1.990 |
High resolution limit [Å] | 1.940 | 1.940 |
Number of reflections | 49088 | 3246 |
<I/σ(I)> | 8 | 2 |
Completeness [%] | 98.9 | |
Redundancy | 5 | |
CC(1/2) | 1.000 | 0.800 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M MES pH 7.2, 12% PEG20K |