7NRY
Re-refinement of MAPKAP kinase-2/inhibitor complex 3fyj
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-03-13 |
Detector | ADSC QUANTUM 1 |
Wavelength(s) | 1.00 |
Spacegroup name | F 41 3 2 |
Unit cell lengths | 255.551, 255.551, 255.551 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.510 - 3.800 |
R-factor | 0.2355 |
Rwork | 0.234 |
R-free | 0.27520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2p3g |
RMSD bond length | 0.003 |
RMSD bond angle | 0.727 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | ISOLDE (1.1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.510 | 3.830 |
High resolution limit [Å] | 3.700 | 3.700 |
Rmerge | 0.084 | 0.370 |
Number of reflections | 6885 | 146 |
<I/σ(I)> | 18.664 | |
Completeness [%] | 85.6 | 90.1 |
Redundancy | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 298 | MK-2 protein at 5 mg/ml is equilibrated against a well solution of 1.6 - 2.0 M Sodium malonate at pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |