9OPK
Crystal structure of IRAK4 with compound 1, an analog of KT-474 TBM
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2018-06-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97930 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 87.603, 121.700, 140.424 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.280 - 2.050 |
| R-factor | 0.16008 |
| Rwork | 0.158 |
| R-free | 0.20630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.257 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.320 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.069 | 0.878 |
| Rmeas | 0.043 | 0.957 |
| Rpim | 0.017 | 0.379 |
| Number of reflections | 94061 | 8908 |
| <I/σ(I)> | 28.8 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 | 6.3 |
| CC(1/2) | 0.998 | 0.782 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 50mM HEPES, pH 7.5, 100mM NaCl, 5mM DTT |
