5Y9M
Crystal structure of CK2a2 form 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 95 |
Detector technology | PIXEL |
Collection date | 2016-10-21 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.766, 92.052, 102.891 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.917 - 2.006 |
R-factor | 0.1729 |
Rwork | 0.171 |
R-free | 0.20470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e3b |
RMSD bond length | 0.008 |
RMSD bond angle | 1.099 |
Data reduction software | XDS (Nov 1, 2016) |
Data scaling software | XDS (Nov 1, 2016) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.917 | 2.130 |
High resolution limit [Å] | 2.006 | 2.010 |
Rmerge | 0.420 | |
Number of reflections | 89053 | |
<I/σ(I)> | 7 | 7.01 |
Completeness [%] | 99.6 | 98.8 |
Redundancy | 3.5 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 281 | 26% PEG 4000, 0.15 M Lithium sulfate monohydrate, 0.1 M TRIS hydrochloride (pH 8.5) |