2XK7

Structure of Nek2 bound to aminopyrazine compound 23

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	101.200, 56.770, 74.140
Unit cell angles	90.00, 127.61, 90.00

Refinement procedure

Resolution	36.636 - 1.992
R-factor	0.1773
Rwork	0.175
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wqo
RMSD bond length	0.007
RMSD bond angle	0.977
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]	50.370	2.100
High resolution limit [Å]	1.990	1.990
Rmerge	0.069	0.374
Number of reflections	22841
<I/σ(I)>	12.1	3.4
Completeness [%]	99.6	99.4
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1