10HM
Trypanosoma brucei CLK1 kinase domain in complex with a covalent Amidobenzimidazole (AB4) inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-28 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 1 |
| Spacegroup name | P 31 |
| Unit cell lengths | 147.679, 147.679, 265.554 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 127.890 - 2.400 |
| R-factor | 0.2983 |
| Rwork | 0.296 |
| R-free | 0.33490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.040 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 127.890 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 253968 | 253968 |
| <I/σ(I)> | 0.8 | |
| Completeness [%] | 99.9 | |
| Redundancy | 5.4 | |
| CC(1/2) | 0.363 | 0.363 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 10 %v/v 2-PropOH, 1.8 M (NH4)2SO4, 0.1 M BIS-TRIS 6.5 pH |
