7SUG
Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 09
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.810, 65.950, 57.990 |
Unit cell angles | 90.00, 94.12, 90.00 |
Refinement procedure
Resolution | 57.840 - 1.480 |
R-factor | 0.2187 |
Rwork | 0.217 |
R-free | 0.25380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7suf |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | REFMAC |
Refinement software | BUSTER |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.840 | 1.501 |
High resolution limit [Å] | 1.303 | 1.303 |
Number of reflections | 42916 | 2146 |
<I/σ(I)> | 9 | |
Completeness [%] | 92.6 | |
Redundancy | 3.3 | |
CC(1/2) | 0.998 | 0.724 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 11% PEG 8000, 15-20% ethylene glycol, 0.1 M MES (pH 6.5), 5% 6-aminohexanoic acid |