6L23
Crystal structure of CK2a1 V116I 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 | 2015-11-21 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.861, 79.021, 79.775 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.095 - 1.974 |
R-factor | 0.181669755913 |
Rwork | 0.179 |
R-free | 0.22873 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3war |
RMSD bond length | 0.008 |
RMSD bond angle | 1.110 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692+SVN) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.114 | 0.650 |
Number of reflections | 23632 | 2214 |
<I/σ(I)> | 50.3 | |
Completeness [%] | 99.9 | |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | Ethylene glycol |