3P9J
Aurora A kinase domain with phthalazinone pyrazole inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-11 |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 83.113, 83.113, 169.191 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.755 - 2.800 |
R-factor | 0.2036 |
Rwork | 0.201 |
R-free | 0.27110 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.223 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 24.700 |
High resolution limit [Å] | 2.800 |
Number of reflections | 9050 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | PEG3350, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 277K |