3D5W
Crystal structure of a phosphorylated Polo-like kinase 1 (Plk1) catalytic domain in complex with ADP.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 180 |
| Detector technology | CCD |
| Collection date | 2006-12-06 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 133.990, 133.990, 133.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.600 |
| R-factor | 0.24418 |
| Rwork | 0.242 |
| R-free | 0.27110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d5v |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.927 |
| Data reduction software | CrystalClear |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.053 | 0.348 |
| Number of reflections | 12461 | |
| <I/σ(I)> | 9 | 2.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | hanging-drop vapor diffusion at 4 C (277K); protein at 6 mg/ml in 50 mM Tris-HCl pH 7.5, 200 mM NaCl, 3 mM DTT, 4 mM ATP, and 4 mM MgSO4; crystallization condition: 0.2 M disodium tartrate dihydrate and 20% PEG 3350; cryoprotectant: 15% ethylene glycol, VAPOR DIFFUSION, HANGING DROP |
