4NW5
Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 8
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 | 51.830, 60.540, 112.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.040 - 1.940 |
R-factor | 0.1752 |
Rwork | 0.173 |
R-free | 0.21870 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.020 |
Data reduction software | PROCESS |
Data scaling software | PROCESS |
Refinement software | BUSTER (2.11.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.040 | 2.010 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.122 | 0.724 |
Number of reflections | 26981 | |
<I/σ(I)> | 13 | 2.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.9 | 6 |
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 |