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 |