2XKF
Structure of Nek2 bound to aminopyrazine compound 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 100.234, 56.956, 73.493 |
Unit cell angles | 90.00, 127.88, 90.00 |
Refinement procedure
Resolution | 49.933 - 2.350 |
R-factor | 0.1737 |
Rwork | 0.171 |
R-free | 0.22150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wqo |
RMSD bond length | 0.004 |
RMSD bond angle | 0.730 |
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] | 58.000 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.068 | 0.293 |
Number of reflections | 14780 | |
<I/σ(I)> | 16.9 | 4.1 |
Completeness [%] | 88.6 | 60.5 |
Redundancy | 3.6 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 2-10% PEG8000, 100MM TRIS PH6.8 |