6YF8
DYRK1A with PST001
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-08 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.918400 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 88.000, 88.040, 229.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.298 - 3.198 |
R-factor | 0.2509 |
Rwork | 0.249 |
R-free | 0.28280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nct |
RMSD bond length | 0.003 |
RMSD bond angle | 0.753 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.390 |
High resolution limit [Å] | 3.198 | 3.198 |
Rmeas | 0.290 | |
Number of reflections | 30124 | 4745 |
<I/σ(I)> | 7 | |
Completeness [%] | 99.3 | |
Redundancy | 6.66 | |
CC(1/2) | 0.990 | 0.580 |
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, VAPOR DIFFUSION, HANGING DROP, temperature 293K |