2XNO

Structure of Nek2 bound to CCT243779

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
Collection date	2009-11-23
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	101.050, 56.880, 81.340
Unit cell angles	90.00, 133.46, 90.00

Refinement procedure

Resolution	36.674 - 1.980
R-factor	0.1725
Rwork	0.170
R-free	0.21410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w5a
RMSD bond length	0.007
RMSD bond angle	1.092
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]	40.150	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.080	0.570
Number of reflections	30461
<I/σ(I)>	13	2.5
Completeness [%]	97.7	96.8
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1