4JXF
Crystal Structure of PLK4 Kinase with an inhibitor: 400631 ((1R,2S)-2-{3-[(E)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}ETHENYL]-2H-INDAZOL-6-YL}-5'-METHOXYSPIRO[CYCLOPROPANE-1,3'-INDOL]-2'(1'H)-ONE)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-04-28 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | I 2 3 |
Unit cell lengths | 127.571, 127.571, 127.571 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.530 - 2.400 |
R-factor | 0.2546 |
Rwork | 0.254 |
R-free | 0.26750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cok |
RMSD bond length | 0.008 |
RMSD bond angle | 0.970 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.500 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.108 | 0.762 |
Number of reflections | 13604 | |
<I/σ(I)> | 27.8 | 3.56 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 19.37 | 19.08 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 23% PEG 3350, 0.1 M HEPES pH 7.5 0.16 M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |