5EAK
Optimization of Microtubule Affinity Regulating Kinase (MARK) Inhibitors with Improved Physical Properties
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-11 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1 |
| Spacegroup name | P 61 |
| Unit cell lengths | 118.739, 118.739, 106.592 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.680 - 2.800 |
| R-factor | 0.198 |
| Rwork | 0.195 |
| R-free | 0.25400 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.218 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.104 | 0.442 |
| Number of reflections | 21123 | |
| <I/σ(I)> | 9.1 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.6 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1M BIS-TRIS PH 6.5, 14% PEG3350, 200MM AMM.SULFATE |
