4A4O
CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 2-(2-AMINO- PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-PYRROLOPYRIDIN-4-ONE INHIBITOR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-04 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 66.546, 66.546, 154.248 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.170 - 2.700 |
R-factor | 0.23 |
Rwork | 0.227 |
R-free | 0.28200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | INTERNAL STRUCTURE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.100 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | CNX (2005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 77.150 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.120 | 0.740 |
Number of reflections | 11482 | |
<I/σ(I)> | 12.4 | 2.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.2 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 1.2 M NA/K TARTRATE, 25 MM ZN ACETATE, 0.10 M MES PH 6.0, VAPOR DIFFUSION, SITTING-DROP, TEMPERATURE 277 K |