8P7J
Crystal structure of MAP2K6 with a covalent compound GCL96
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-05-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00003 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 66.712, 96.920, 104.806 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.720 - 2.400 |
R-factor | 0.19853 |
Rwork | 0.196 |
R-free | 0.25744 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.670 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.720 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 27286 | 2822 |
<I/σ(I)> | 14.6 | |
Completeness [%] | 100.0 | |
Redundancy | 13.5 | |
CC(1/2) | 0.999 | 0.710 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.05M magnesium chloride -- 30% PEG500MME -- 0.1M HEPES pH 7.5 |