5NXD
LIM Domain Kinase 2 (LIMK2) In Complex With TH-300
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.275, 66.605, 82.124 |
| Unit cell angles | 90.00, 97.43, 90.00 |
Refinement procedure
| Resolution | 66.610 - 1.900 |
| R-factor | 0.19666 |
| Rwork | 0.195 |
| R-free | 0.23042 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tpt |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.900 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.610 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.072 | 0.659 |
| Number of reflections | 51845 | 2625 |
| <I/σ(I)> | 11.1 | 2.2 |
| Completeness [%] | 97.5 | 99.5 |
| Redundancy | 3.3 | 3.2 |
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 |
