4NUK

Crystal structure of nickel-bound Na-ASP-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-27
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95375
Spacegroup name	P 21 21 21
Unit cell lengths	39.921, 61.958, 77.082
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.450 - 2.400
R-factor	0.1855
Rwork	0.183
R-free	0.24430
Structure solution method	PDB entry 4NUI
RMSD bond length	0.008
RMSD bond angle	1.136
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.500	2.530
High resolution limit [Å]	2.400	2.400
Number of reflections	14334
Completeness [%]	99.6	100
Redundancy		12.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	32% PEG4000, 20mM MOPS, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K