2XKD
Structure of Nek2 bound to aminopyrazine compound 12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 100.280, 57.060, 73.760 |
Unit cell angles | 90.00, 127.61, 90.00 |
Refinement procedure
Resolution | 31.289 - 1.960 |
R-factor | 0.1828 |
Rwork | 0.181 |
R-free | 0.21690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wqo |
RMSD bond length | 0.006 |
RMSD bond angle | 0.983 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.950 | 2.070 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.069 | 0.239 |
Number of reflections | 21360 | |
<I/σ(I)> | 12.2 | 4.4 |
Completeness [%] | 89.6 | 98.2 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |