4UX9
Crystal structure of JNK1 bound to a MKK7 docking motif
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-03-12 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 108.666, 180.159, 101.144 |
Unit cell angles | 90.00, 110.30, 90.00 |
Refinement procedure
Resolution | 49.210 - 2.340 |
R-factor | 0.2021 |
Rwork | 0.200 |
R-free | 0.24050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xrw |
RMSD bond length | 0.010 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.420 |
High resolution limit [Å] | 2.340 | 2.340 |
Rmerge | 0.050 | 0.730 |
Number of reflections | 75436 | |
<I/σ(I)> | 15.66 | 1.66 |
Completeness [%] | 98.3 | 90.7 |
Redundancy | 3.4 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 50 MM HEPES 150 MM NACL 2 MM MGSO4 1 MM TCEP 2.6 M NH4SO4 |