5D9L
Rsk2 N-terminal Kinase in Complex with bis-phenol pyrazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-26 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 33.450, 58.590, 78.570 |
Unit cell angles | 90.00, 100.64, 90.00 |
Refinement procedure
Resolution | 46.680 - 2.150 |
R-factor | 0.168 |
Rwork | 0.165 |
R-free | 0.22410 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.27) |
Refinement software | BUSTER-TNT (BUSTER 2.11.4) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.680 | 46.680 | 2.410 |
High resolution limit [Å] | 2.150 | 4.820 | 2.150 |
Rmerge | 0.184 | 0.055 | 0.616 |
Rpim | 0.111 | 0.034 | 0.372 |
Total number of observations | 59944 | 5327 | 16998 |
Number of reflections | 16295 | ||
<I/σ(I)> | 7.9 | 18.4 | 2.6 |
Completeness [%] | 99.8 | 99.7 | 99.7 |
Redundancy | 3.7 | 3.6 | 3.7 |
CC(1/2) | 0.981 | 0.997 | 0.679 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291 | 20% PEG3350, 0.2 M lithium citrate |