8GI4
Crystal structure of human LIMK2 PDZ domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-05 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.950, 83.028, 83.080 |
| Unit cell angles | 90.00, 96.58, 90.00 |
Refinement procedure
| Resolution | 80.420 - 2.060 |
| R-factor | 0.2102 |
| Rwork | 0.209 |
| R-free | 0.23380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.450 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER (v2.8.3) |
| Refinement software | PHENIX (v2.8.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.130 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmeas | 0.146 | 1.706 |
| Rpim | 0.033 | 0.440 |
| Total number of observations | 1329519 | 127846 |
| Number of reflections | 68051 | 8868 |
| <I/σ(I)> | 23.1 | 1.9 |
| Completeness [%] | 98.3 | |
| Redundancy | 19.5 | 14.4 |
| CC(1/2) | 0.996 | 0.517 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1 M HEPES, pH 7.5, 10% 2-propanol, 20% PEG4000 |
