22MJ
Crystal structure of human INPP5K with an allosteric inhibitor reveals the structural basis for species specific potency
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 82.278, 82.278, 107.311 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 59.360 - 1.900 |
| R-factor | 0.2307 |
| Rwork | 0.230 |
| R-free | 0.24620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cml |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.860 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.360 | 1.960 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.098 | 0.435 |
| Number of reflections | 33474 | 2733 |
| <I/σ(I)> | 7.5 | 1.8 |
| Completeness [%] | 100.0 | |
| Redundancy | 21.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 277 | 0.7-1.0 M malonate, pH 5.0-5.4 |
