8PM3
Crystal structure of MAP2K6 with a covalent compound GCL94
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 1 21 1 |
Unit cell lengths | 66.328, 97.529, 104.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.620 - 2.000 |
R-factor | 0.19771 |
Rwork | 0.196 |
R-free | 0.23615 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.509 |
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] | 48.620 | 2.040 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 88885 | 4551 |
<I/σ(I)> | 13.4 | 2.6 |
Completeness [%] | 98.9 | 99.4 |
Redundancy | 5.8 | |
CC(1/2) | 0.990 | 0.880 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 0.05M magnesium chloride -- 30% PEG500MME -- 0.1M HEPES pH 7.5 |