5NXC
LIM Domain Kinase 1 (LIMK1) In Complex With PF-00477736
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 88.387, 95.836, 84.392 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.970 - 2.250 |
| R-factor | 0.24188 |
| Rwork | 0.239 |
| R-free | 0.29837 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yi6 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.749 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.390 | 2.280 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.220 | 0.920 |
| Number of reflections | 17463 | 857 |
| <I/σ(I)> | 6.3 | 2.1 |
| Completeness [%] | 100.0 | 99.7 |
| Redundancy | 6.5 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.1 M HEPES pH 7.0 0.2 M MgCl2 10% PEG8K |
