8HOA
ScRIPK mutant K124R
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-14 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.660, 82.350, 98.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.441 - 1.676 |
| R-factor | 0.1881 |
| Rwork | 0.187 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tos |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.902 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.15_3459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.350 | 1.720 |
| High resolution limit [Å] | 1.676 | 1.676 |
| Rmerge | 0.103 | |
| Rmeas | 0.112 | |
| Rpim | 0.031 | |
| Number of reflections | 39500 | 2806 |
| <I/σ(I)> | 14.8 | |
| Completeness [%] | 97.4 | |
| Redundancy | 12.937 | |
| CC(1/2) | 0.997 | 0.897 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION, RECRYSTALLIZATION | 289 | 0.1 M HEPES pH 7.5, 4.3 M Sodium chloride, 40% v/v 2,5-Hexanediol, 40% v/v 2,2,2-Trifluoroethanol, 1.0 M Sodium citrate tribasic dihydrate |
