6CPE
Structure of apo, dephosphorylated Aurora A (122-403) in an active conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00001 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 80.550, 80.550, 169.790 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 64.520 - 2.450 |
R-factor | 0.2183 |
Rwork | 0.214 |
R-free | 0.25360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mq4 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.602 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.900 | 2.550 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.068 | 1.202 |
Number of reflections | 12688 | 8694 |
<I/σ(I)> | 15 | |
Completeness [%] | 99.9 | |
Redundancy | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 291.15 | A 1:1 ratio protein:mother liquor was obtained by mixing 0.5 uL Aurora A (300 uM; 10 mg/mL) in 50 mM HEPES, pH 7.3, 500 mM ammonium acetate, 1 mM MgCl2, 5 mM TCEP) with 0.5 uL of 0.15 M Tris-HCl, pH 7.5, 0.15 M ammonium sulfate, 35% (w/v) PEG-3350 |