4EYM
MAPK13 complex with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 105 |
Detector technology | CCD |
Collection date | 2011-09-29 |
Detector | NOIR-1 |
Wavelength(s) | 1.0375 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.110, 69.564, 93.157 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.911 - 2.353 |
R-factor | 0.2064 |
Rwork | 0.203 |
R-free | 0.26940 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.004 |
RMSD bond angle | 0.815 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.070 | 0.253 |
Number of reflections | 15987 | |
<I/σ(I)> | 23.8 | 5.5 |
Completeness [%] | 93.6 | 99.9 |
Redundancy | 5.4 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 50 mM ammonium tartrate, 18% PEG 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |