7AKB
Structure of DYRK1A in complex with compound 56
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-01-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.480, 83.820, 83.730 |
Unit cell angles | 90.00, 107.81, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.800 |
R-factor | 0.1966 |
Rwork | 0.194 |
R-free | 0.24780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vx3 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.473 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.800 | 2.840 |
High resolution limit [Å] | 2.760 | 2.760 |
Rmerge | 0.109 | 0.453 |
Number of reflections | 19086 | 1387 |
<I/σ(I)> | 4.9 | 2 |
Completeness [%] | 98.1 | 97.2 |
Redundancy | 2.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 7% PEG 8k, 0.15M Ca acetate, 16% ethylene glycol, 0.1M MES buffer pH 6.5 |