6SO1
Fragment N13569a in complex with MAP kinase p38-alpha
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-11 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.92 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.683, 85.883, 126.807 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.180 - 1.660 |
R-factor | 0.1872 |
Rwork | 0.186 |
R-free | 0.20370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4loo |
RMSD bond length | 0.007 |
RMSD bond angle | 0.818 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.180 | 1.720 |
High resolution limit [Å] | 1.660 | 1.660 |
Number of reflections | 59026 | 5728 |
<I/σ(I)> | 16.85 | 1.96 |
Completeness [%] | 98.7 | 97.04 |
Redundancy | 6.7 | 6.5 |
CC(1/2) | 0.999 | 0.752 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 291 | 27.5% PEG3350, 0.1M magnesium chloride, 0.1M magnesium acetate, 0.1M bis-tris propane pH6.9 |