3UO6
Aurora A in complex with YL5-083
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2011-05-04 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54178 |
Spacegroup name | P 32 |
Unit cell lengths | 85.700, 85.700, 76.650 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 18.889 - 2.800 |
Rwork | 0.229 |
R-free | 0.27640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3unz |
RMSD bond length | 0.013 |
RMSD bond angle | 1.462 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.068 | 0.374 |
Number of reflections | 15369 | |
<I/σ(I)> | 31.79 | 4.7 |
Completeness [%] | 99.0 | 99.7 |
Redundancy | 4.1 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 10 mg/mL AURORA A protein, 1 mM YL5-083, 10 % (v/v) PEG 3350, 25 mM phosphate(Na/K pH 7.4), 5 % Tacismate pH 7.0 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K |