6Y6H
Crystal structure of STK17b (DRAK2) in complex with UNC-AP-194 probe
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03320 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 83.599, 83.599, 114.609 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.800 - 1.950 |
R-factor | 0.1828 |
Rwork | 0.181 |
R-free | 0.21160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lm5 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.291 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.800 | 41.800 | 2.020 |
High resolution limit [Å] | 1.950 | 7.550 | 1.950 |
Rmerge | 0.092 | 0.039 | 0.883 |
Rmeas | 0.106 | 0.043 | 1.037 |
Rpim | 0.039 | 0.017 | 0.396 |
Number of reflections | 30247 | 623 | 2885 |
<I/σ(I)> | 11.5 | 2.1 | |
Completeness [%] | 99.7 | 99.4 | 98.9 |
Redundancy | 7.1 | 5.9 | 6.7 |
CC(1/2) | 0.998 | 0.998 | 0.543 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277.15 | 13% PEG 3350, 0.1M NaCl, 0.1M bis-tris 6.0 |