8HMT
The complex of ACK1 with the inhibitor 2-142
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-09-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97914 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.710, 133.010, 110.667 |
| Unit cell angles | 90.00, 90.35, 90.00 |
Refinement procedure
| Resolution | 51.710 - 3.170 |
| R-factor | 0.2088 |
| Rwork | 0.206 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.498 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 110.680 | 10.030 |
| High resolution limit [Å] | 3.170 | 3.170 |
| Rpim | 0.116 | 0.443 |
| Number of reflections | 23600 | 3695 |
| <I/σ(I)> | 6 | |
| Completeness [%] | 93.2 | |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG 4000, 0.2M Bis-Tris ph 6.4 |
