6Y80
Fragment KCL_916 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 | 2018-04-24 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.91587 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 80.940, 102.344, 103.348 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.720 - 1.240 |
R-factor | 0.211 |
Rwork | 0.210 |
R-free | 0.22540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6sov |
RMSD bond length | 0.005 |
RMSD bond angle | 0.808 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.720 | 1.270 |
High resolution limit [Å] | 1.240 | 1.240 |
Number of reflections | 121002 | 8854 |
<I/σ(I)> | 14.7 | 1.5 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 14.7 | 6.5 |
CC(1/2) | 1.000 | 0.575 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0 |