6EIV
DYRK1A in complex with JWD-065
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-26 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.976251 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 88.760, 88.540, 231.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.623 - 2.680 |
R-factor | 0.1998 |
Rwork | 0.197 |
R-free | 0.23550 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.719 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.840 |
High resolution limit [Å] | 2.680 | 2.680 |
Rmeas | 0.146 | 0.768 |
Number of reflections | 51533 | |
<I/σ(I)> | 9.74 | 1.7 |
Completeness [%] | 99.0 | |
Redundancy | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M KSCN; 0.05M LiCl; 10% PEG 3350, pH 6.8 |