5J7S
Crystal structure of SM1-71 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 | 2015-10-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97932 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 58.234, 134.060, 146.814 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.499 - 2.368 |
R-factor | 0.2288 |
Rwork | 0.228 |
R-free | 0.24020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4o91 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.846 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.500 | 2.420 |
High resolution limit [Å] | 2.368 | 2.368 |
Rmerge | 0.129 | 1.486 |
Number of reflections | 23015 | |
<I/σ(I)> | 17.8 | 0.88 |
Completeness [%] | 98.4 | |
Redundancy | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.75M NaCitrate, 0.1M Tris-HCL, 0.2M NaCl, pH 7.0, 5mM Adenosine; Adenosine bound TAK1-TAB1 crystals are backsoaked with inhibitor. |