5UKF
Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.976250 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 92.138, 96.051, 192.741 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.190 - 2.400 |
R-factor | 0.179 |
Rwork | 0.177 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3op5 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.560 | 2.460 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.076 | 0.747 |
Rpim | 0.028 | 0.352 |
Number of reflections | 67658 | 4493 |
<I/σ(I)> | 14.2 | 0.5 |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 6.6 | 3.1 |
CC(1/2) | 0.999 | 0.807 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 27.5% PEG 3350; 0.3M AmSO4; 0.1M HEPES pH 7.0 |