6SFO
MAPK14 with bound inhibitor SR-318
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-02-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.516, 75.051, 77.486 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.400 - 1.750 |
R-factor | 0.1931 |
Rwork | 0.191 |
R-free | 0.23620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lar |
RMSD bond length | 0.011 |
RMSD bond angle | 1.530 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.400 | 49.360 | 1.780 |
High resolution limit [Å] | 1.750 | 9.090 | 1.750 |
Rmerge | 0.067 | 0.029 | 1.814 |
Rmeas | 0.069 | 0.030 | 1.962 |
Rpim | 0.019 | 0.009 | 0.534 |
Number of reflections | 39011 | 339 | 2090 |
<I/σ(I)> | 17.8 | ||
Completeness [%] | 99.5 | 99.4 | 99.3 |
Redundancy | 12.8 | 11.2 | 13.2 |
CC(1/2) | 0.999 | 1.000 | 0.683 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 278 | 5% HMW PEG smears, 0.1M MES |