5ONE
Crystal structure of Aurora-A in complex with FMF-03-145-1 (compound 2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97779 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 86.765, 86.765, 77.103 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.380 - 2.600 |
R-factor | 0.21086 |
Rwork | 0.208 |
R-free | 0.25962 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ol7 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.162 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.380 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.073 | 0.989 |
Rpim | 0.030 | 0.395 |
Number of reflections | 10651 | 1518 |
<I/σ(I)> | 14.7 | 2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.6 | 8 |
CC(1/2) | 0.996 | 0.787 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 18% PEG 3350, 0.2 M Ammonium citrate, 0.1 M bis-tris, pH 7.5 |