5E7R
Crystal structure of TL10-81 bound to TAK1-TAB1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 58.179, 134.093, 149.044 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.148 - 2.110 |
R-factor | 0.221 |
Rwork | 0.220 |
R-free | 0.24560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yiy |
RMSD bond length | 0.007 |
RMSD bond angle | 0.956 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.235 | |
Rpim | 0.088 | 0.553 |
Number of reflections | 32105 | |
<I/σ(I)> | 6.3 | 1.7 |
Completeness [%] | 96.7 | 98.4 |
Redundancy | 8 | 6.4 |
CC(1/2) | 0.561 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.65-0.75 M sodium citrate pH 7.0, 0.2 M NaCl, 0.1 M Tris pH 7.0, and 5mM adenosine. Adenosine bound TAK1-TAB1 crystals are backsoaked with inhibitor |