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 |