4A4L
CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 5-(2-AMINO- PYRIMIDIN-4-YL)-1H-PYRROLE INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-05 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 66.595, 66.595, 154.035 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.840 - 2.350 |
| R-factor | 0.224 |
| Rwork | 0.222 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | INTERNAL STRUCTURE WITH AMP-PNP |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.300 |
| 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] | 57.350 | 2.480 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.080 | 0.440 |
| Number of reflections | 16356 | |
| <I/σ(I)> | 9.4 | 2 |
| Completeness [%] | 95.9 | 78.9 |
| Redundancy | 2.3 | 2.1 |
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 |
