4JDI
Crystal structure of Serine/threonine-protein kinase PAK 4 in complex with Paktide S peptide substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97922 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 61.912, 61.912, 181.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.320 - 1.850 |
R-factor | 0.19417 |
Rwork | 0.192 |
R-free | 0.23318 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fif |
RMSD bond length | 0.008 |
RMSD bond angle | 1.328 |
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] | 30.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.091 | 0.000 |
Number of reflections | 31180 | |
<I/σ(I)> | 22.778 | 1.771 |
Completeness [%] | 99.9 | 100 |
Redundancy | 10.3 | 10.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1 M Tris-HCl, 1.5 - 2.0 M Na acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |