5N23
Protein kinase A mutants as surrogate model for Aurora B with AT9283 inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-11 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.976251 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.000, 74.540, 79.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.970 - 2.088 |
R-factor | 0.1915 |
Rwork | 0.188 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ama |
RMSD bond length | 0.008 |
RMSD bond angle | 0.896 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.970 | |
High resolution limit [Å] | 2.088 | 2.088 |
Rmerge | 0.066 | |
Number of reflections | 25483 | |
<I/σ(I)> | 12.24 | |
Completeness [%] | 97.0 | |
Redundancy | 4.1 | |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277.15 | 12-26 % (v/v) methanol |