4BYJ
Aurora A kinase bound to a highly selective imidazopyridine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 82.249, 82.249, 177.754 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.552 - 2.750 |
R-factor | 0.2322 |
Rwork | 0.231 |
R-free | 0.24770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mq4 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.758 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.550 | 2.900 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.080 | 1.040 |
Number of reflections | 9898 | |
<I/σ(I)> | 21 | 1.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.9 | 9.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |