5T1T
Irak4 kinase - compound 1 co-structure
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 | PIXEL |
Collection date | 2012-12-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 143.000, 139.560, 87.340 |
Unit cell angles | 90.00, 124.45, 90.00 |
Refinement procedure
Resolution | 34.260 - 2.340 |
R-factor | 0.2069 |
Rwork | 0.206 |
R-free | 0.22790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nru |
RMSD bond length | 0.010 |
RMSD bond angle | 1.020 |
Data reduction software | XDS ((VERSION September 2) |
Data scaling software | autoPROC |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.620 | 2.343 |
High resolution limit [Å] | 2.335 | 2.335 |
Rmerge | 0.043 | |
Number of reflections | 59599 | |
<I/σ(I)> | 18.1 | |
Completeness [%] | 99.6 | 99.7 |
Redundancy | 3.4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 289 | 1.80 to 2.0 M Sodium Malonate 0.2 M Sodium Acetate 25 mM Hexamminecobalt(III)chloride 0.05%w/v Pluronic-F-68 |