4NW6
Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 27
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 | 2010-11-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97740 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.870, 60.530, 112.240 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.120 - 1.740 |
R-factor | 0.1666 |
Rwork | 0.165 |
R-free | 0.20080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 0.990 |
Refinement software | BUSTER (2.11.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.120 | 1.810 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.116 | 0.947 |
Number of reflections | 36832 | |
<I/σ(I)> | 16 | 2.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.2 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 7-8 mg/mL protein mixed 1:1:0.5 with 12-24% PEG3350 plus 100 mM sodium malonate pH 5-7 and microseeds, VAPOR DIFFUSION, HANGING DROP, temperature 291K |