6EIQ
DYRK1A in complex with XMD14-124
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-19 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.984003 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 87.560, 87.600, 229.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.100 - 2.300 |
R-factor | 0.21986 |
Rwork | 0.218 |
R-free | 0.25245 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nct |
RMSD bond length | 0.008 |
RMSD bond angle | 1.297 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.440 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmeas | 1.206 | |
Number of reflections | 77090 | 48049 |
<I/σ(I)> | 9.45 | 0.99 |
Completeness [%] | 97.1 | 97.5 |
Redundancy | 3.8 | |
CC(1/2) | 0.419 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M KSCN; 0.1M NaCl; 12% PEG 3350, pH 6.8 |