6L20
Crystal structure of CK2a2 with hematein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2015-01-26 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.700, 89.137, 95.994 |
| Unit cell angles | 81.15, 86.05, 90.06 |
Refinement procedure
| Resolution | 35.041 - 3.087 |
| R-factor | 0.249340008441 |
| Rwork | 0.241 |
| R-free | 0.32592 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e3b |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.328 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.140 |
| High resolution limit [Å] | 3.087 | 3.090 |
| Rmerge | 0.111 | 0.409 |
| Number of reflections | 27801 | 3582 |
| <I/σ(I)> | 7.2 | |
| Completeness [%] | 91.4 | |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG 8000 |
