4BTK
TTBK1 in complex with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4r |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 170.940, 40.280, 50.270 |
Unit cell angles | 90.00, 104.24, 90.00 |
Refinement procedure
Resolution | 82.840 - 2.000 |
R-factor | 0.1922 |
Rwork | 0.190 |
R-free | 0.24920 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | BUSTER (2.11.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 82.800 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.120 | 0.640 |
Number of reflections | 21626 | |
<I/σ(I)> | 8.2 | 2.2 |
Completeness [%] | 95.3 | 92 |
Redundancy | 5.3 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |