6C83
Structure of Aurora A (122-403) bound to inhibitory Monobody Mb2 and AMPPCP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-01-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.047, 69.916, 173.718 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.820 - 2.550 |
| R-factor | 0.2683 |
| Rwork | 0.264 |
| R-free | 0.32210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c3r 3k2m |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.407 |
| Data reduction software | xia2 (0.4.0.0) |
| Data scaling software | Aimless (0.5.21) |
| Phasing software | PHASER (2.8.1) |
| Refinement software | PHENIX (1.13rc2_2986) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.860 | 2.620 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.053 | |
| Number of reflections | 25451 | |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 98.5 | |
| Redundancy | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291.15 | Crystals of dephosphorylated Aurora A (122-403) in complex with Monobody Mb2 and AMPPCP were obtained by mixing a 1:1 ratio of 0.24mM Aurora A, 0.25mM Mb2 and 2.5mM AMPPCP in 20mM TrisHCl pH 7.5, 200mM NaCl,20mM MgCl2, 10% glycerol, 5mM TCEP with mother liquor (0.1M Bis-Tris pH 5.5, 0.2M NaCl, 25% (w/v) PEG 3350 |
