4AF3
Human Aurora B Kinase in complex with INCENP and VX-680
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-11 |
Detector | ADSC CCD |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 80.145, 80.145, 92.542 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 69.410 - 2.750 |
R-factor | 0.20776 |
Rwork | 0.205 |
R-free | 0.26438 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bfx |
RMSD bond length | 0.008 |
RMSD bond angle | 1.218 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.580 | 2.900 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.080 | 0.936 |
Number of reflections | 9289 | |
<I/σ(I)> | 22.6 | 2 |
Completeness [%] | 99.7 | 100 |
Redundancy | 11.8 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.15 | 10% W/V PEG 3350, 0.2 M KSCN, 10% ETHYLENE GLYCOL, 0.1 M BIS-TRISPROPANE PH 6.15 |