7M0M
HPK1 IN COMPLEX WITH COMPOUND 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-08-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.168, 56.994, 63.459 |
| Unit cell angles | 86.73, 86.63, 67.06 |
Refinement procedure
| Resolution | 63.310 - 1.930 |
| R-factor | 0.1877 |
| Rwork | 0.186 |
| R-free | 0.21980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PREVIOUSLY SOLVED STRUCTURE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.587 |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.310 | 2.180 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmeas | 0.051 | 0.576 |
| Number of reflections | 48216 | 157 |
| <I/σ(I)> | 13.66 | 2.52 |
| Completeness [%] | 97.3 | 96.1 |
| Redundancy | 2.2 | 2.3 |
| CC(1/2) | 0.999 | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 20 mM Tris pH 8.0 , 150 mM NaCl , 5% Glycerol , 2 mM DTT |
