7QHG
LIM domain kinase 2 (LIMK2) in complex with TH-470
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 | 2017-09-21 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.000, 66.692, 82.925 |
| Unit cell angles | 90.00, 97.96, 90.00 |
Refinement procedure
| Resolution | 45.560 - 1.450 |
| R-factor | 0.1658 |
| Rwork | 0.165 |
| R-free | 0.17700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5nxd |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.848 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.390 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.054 | 0.613 |
| Number of reflections | 118826 | 5820 |
| <I/σ(I)> | 9.5 | 2.2 |
| Completeness [%] | 98.9 | |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.998 | 0.743 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1 M bis-tris-propane pH 7.5, 0.2 M Na2SO4, 10% ethylene glycol, 17% PEG3.35K |
