7L25
HPK1 IN COMPLEX WITH COMPOUND 18
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00001 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 90.397, 97.729, 71.397 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.400 - 1.850 |
| R-factor | 0.1873 |
| Rwork | 0.185 |
| R-free | 0.22660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PREVIOUSLY SOLVED STUCTURE |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.613 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.400 | 2.100 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmeas | 0.053 | 0.549 |
| Number of reflections | 51003 | 13779 |
| <I/σ(I)> | 18.7 | 2.18 |
| Completeness [%] | 93.2 | 80.6 |
| Redundancy | 4.2 | 2.4 |
| CC(1/2) | 0.999 | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | NO DISCLOSED |
