5NQC
CK2alpha in complex with NMR154
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-08-28 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5406 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 71.477, 71.477, 126.266 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.876 - 2.000 |
R-factor | 0.2007 |
Rwork | 0.196 |
R-free | 0.24720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3q04 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.112 |
Data reduction software | PROTEUM PLUS |
Data scaling software | PROTEUM PLUS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 28.880 |
High resolution limit [Å] | 2.000 |
Number of reflections | 22847 |
<I/σ(I)> | 11.91 |
Completeness [%] | 99.7 |
Redundancy | 7.61 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 0.1 M sodium tartrate pH 5.6, 2.2 M (NH4)2SO4, 0.2 M NaSCN, 5 mM TCEP, 5 mM NMR154, 5% (v/v) DMSO |