8GW3
Crystal structure of human TAK1 kinase domain fused with TAB1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.814, 196.460, 72.415 |
Unit cell angles | 90.00, 115.24, 90.00 |
Refinement procedure
Resolution | 58.630 - 2.050 |
R-factor | 0.2232 |
Rwork | 0.221 |
R-free | 0.25820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2eva |
RMSD bond length | 0.009 |
RMSD bond angle | 1.075 |
Data reduction software | XDS (20210323) |
Data scaling software | Aimless (1.12.2) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.500 | 2.250 |
High resolution limit [Å] | 2.050 | 2.050 |
Rpim | 0.029 | 0.490 |
Number of reflections | 70634 | 3532 |
<I/σ(I)> | 17.9 | 1.5 |
Completeness [%] | 99.8 | 53.9 |
Redundancy | 8.9 | 5.8 |
CC(1/2) | 1.000 | 0.669 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 2% (v/v) Tacsimate pH7.0, 0.1M HEPES pH 7.5, 20%(w/v) PEG3350 |