2YIY
Crystal structure of compound 8 bound to TAK1-TAB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 58.401, 133.422, 145.769 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.040 - 2.490 |
R-factor | 0.1911 |
Rwork | 0.188 |
R-free | 0.24530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2eva |
RMSD bond length | 0.009 |
RMSD bond angle | 1.070 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | BUSTER (2.9.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 98.420 | 2.620 |
High resolution limit [Å] | 2.490 | 2.490 |
Rmerge | 0.080 | 0.500 |
Number of reflections | 17628 | |
<I/σ(I)> | 16.6 | 4.8 |
Completeness [%] | 86.6 | 90 |
Redundancy | 5.4 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.1 M TRIS-HCL PH 7.5, 0.6 M SODIUM CITRATE, 0.2 M NACL, 10 MM DTT. |