7YL1
Crystal structure of JNK3 in complex with a fragment molecule
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.149, 71.985, 107.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.750 - 2.480 |
R-factor | 0.20785 |
Rwork | 0.204 |
R-free | 0.29440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3oy1 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.605 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.750 | 2.550 |
High resolution limit [Å] | 2.480 | 2.490 |
Rmerge | 0.090 | 0.085 |
Number of reflections | 13406 | 757 |
<I/σ(I)> | 52.7 | |
Completeness [%] | 99.1 | |
Redundancy | 13.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.25 | 277 | PEG MME 550, ethylene glycol, HEPES |