4KA3
Structure of MAP kinase in complex with a docking peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979413 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 82.148, 82.148, 122.556 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 26.827 - 2.707 |
R-factor | 0.227 |
Rwork | 0.225 |
R-free | 0.26730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lez |
RMSD bond length | 0.010 |
RMSD bond angle | 1.241 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.760 |
High resolution limit [Å] | 2.707 | 2.710 |
Rmerge | 0.061 | 0.457 |
Number of reflections | 13001 | |
<I/σ(I)> | 21.1 | 4.9 |
Completeness [%] | 96.1 | 100 |
Redundancy | 5.5 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.86 | 294 | 100mM Hepes, 22% polyacrylic acid 5100, pH 7.86, VAPOR DIFFUSION, HANGING DROP, temperature 294K |