2XNN

Structure of Nek2 bound to CCT242430

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-15
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	101.210, 56.850, 80.400
Unit cell angles	90.00, 133.21, 90.00

Refinement procedure

Resolution	31.243 - 2.500
R-factor	0.1751
Rwork	0.172
R-free	0.23740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w5a
RMSD bond length	0.007
RMSD bond angle	0.955
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]	39.750	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.140	0.280
Number of reflections	11653
<I/σ(I)>	6.5	3.6
Completeness [%]	99.8	99.9
Redundancy	3.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1