5J9L
Crystal structure of CPT1691 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 | 2013-12-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97926 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 58.208, 133.407, 144.898 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.072 - 2.752 |
R-factor | 0.2142 |
Rwork | 0.213 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4o91 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.547 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.081 | |
Number of reflections | 13998 | |
<I/σ(I)> | 15.25 | |
Completeness [%] | 92.9 | |
Redundancy | 5 |
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 |