7Q7E
Room temperature structure of the human Serine/Threonine Kinase 17B (STK17B/DRAK2) in complex with ATP/ADP at atmospheric pressure in a sapphire capillary after high helium gas pressure release
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 295 |
Detector technology | PIXEL |
Collection date | 2019-09-30 |
Detector | DECTRIS PILATUS3 X CdTe 2M |
Wavelength(s) | 0.477 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 84.240, 84.240, 117.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.120 - 2.850 |
R-factor | 0.191 |
Rwork | 0.186 |
R-free | 0.23920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qf4 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.566 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13-2998_9999) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.120 | 2.952 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.350 | 3.753 |
Rmeas | 0.359 | 3.845 |
Rpim | 0.076 | 0.812 |
Number of reflections | 9542 | 930 |
<I/σ(I)> | 9.44 | 1.1 |
Completeness [%] | 91.8 | 92.9 |
Redundancy | 20.8 | 21.1 |
CC(1/2) | 0.994 | 0.336 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 295 | 20 mg/ml protein in 25 mM HEPES pH 7.5, 500 mM NaCl, 0.5 mM TCEP was mixed 1:1.5 with precipitant solution (0.1 M HEPES 6.5, 0.2M ammonium acetate, 20% PEG 3350, 50mM sodium/potassium tartrate, 0.8mM quercetin). Batch grown crystals were subsequently mixed 1:1 with 100 mM ATP/50 mM magnesium chloride in DRAK2 crystallization buffer and incubated for half an hour. |