9R1X
PLK1 SURFACE ENTROPY REDUCTION (SER) MUTANT IN COMPLEX WITH INHIBITOR BI 2536
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-18 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 112.515, 104.497, 71.329 |
| Unit cell angles | 90.00, 115.63, 90.00 |
Refinement procedure
| Resolution | 42.100 - 2.840 |
| R-factor | 0.22166 |
| Rwork | 0.219 |
| R-free | 0.27746 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.229 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.100 | 2.930 |
| High resolution limit [Å] | 2.840 | 2.840 |
| Number of reflections | 16036 | 1488 |
| <I/σ(I)> | 10.4 | 2.1 |
| Completeness [%] | 91.5 | 53.8 |
| Redundancy | 3.5 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | sodium acetate, ammonium sulphate, MES |
