6P5S
HIPK2 kinase domain bound to CX-4945
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.1111 |
Spacegroup name | P 62 |
Unit cell lengths | 130.155, 130.155, 52.253 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 56.359 - 2.194 |
R-factor | 0.1997 |
Rwork | 0.198 |
R-free | 0.23800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.976 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.400 | 2.270 |
High resolution limit [Å] | 2.190 | 2.190 |
Rmerge | 0.021 | 0.240 |
Rmeas | 0.030 | 0.350 |
Rpim | 0.021 | 0.240 |
Number of reflections | 26108 | 2564 |
<I/σ(I)> | 17.63 | 2.65 |
Completeness [%] | 100.0 | 99.96 |
Redundancy | 2 | 2 |
CC(1/2) | 0.998 | 0.857 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 20% PEG 3350, 0.2 M KSCN |