2XK4

Structure of Nek2 bound to aminopyrazine compound 17

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	101.190, 56.910, 74.340
Unit cell angles	90.00, 126.99, 90.00

Refinement procedure

Resolution	31.683 - 2.100
R-factor	0.1699
Rwork	0.168
R-free	0.21130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wqo
RMSD bond length	0.007
RMSD bond angle	0.974
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]	50.350	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.078	0.280
Number of reflections	19781
<I/σ(I)>	11.9	4.8
Completeness [%]	99.6	99.9
Redundancy	3.6	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1