6SP9
Fragment KCL802 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 | 2018-01-29 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.92 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 80.937, 102.308, 103.156 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 72.640 - 1.220 |
R-factor | 0.2211 |
Rwork | 0.220 |
R-free | 0.23520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6so1 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.807 |
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] | 72.640 | 1.240 |
High resolution limit [Å] | 1.220 | 1.220 |
Number of reflections | 126685 | 6266 |
<I/σ(I)> | 13.7 | 1.9 |
Completeness [%] | 100.0 | 99.56 |
Redundancy | 6.5 | 6.5 |
CC(1/2) | 0.999 | 0.411 |
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 |