5TE0
Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-28 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.458720 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 70.465, 119.474, 125.035 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.150 - 1.900 |
R-factor | 0.182 |
Rwork | 0.181 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wsq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
Data reduction software | XDS (VERSION Oct 15, 2015) |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER (2.6.0) |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.550 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.202 | 1.584 |
Number of reflections | 41475 | |
<I/σ(I)> | 9.9 | 1.8 |
Completeness [%] | 99.5 | 93.9 |
Redundancy | 8.5 | 8.3 |
CC(1/2) | 0.993 | 0.429 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 25 % PEG 3350, 0.1M BIS-TRIS, 0.2M Lithium Sulfate |