4NUN

Crystal structure of copper-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	2013-10-16
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95375
Spacegroup name	P 1 21 1
Unit cell lengths	36.953, 51.267, 43.288
Unit cell angles	90.00, 93.96, 90.00

Refinement procedure

Resolution	29.000 - 2.200
R-factor	0.1776
Rwork	0.175
R-free	0.23080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nui
RMSD bond length	0.009
RMSD bond angle	1.264
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.000	2.320
High resolution limit [Å]	2.200	2.200
Number of reflections	16019
Completeness [%]	99.6	100
Redundancy		7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	289	40% PEG4000, 20 mM TRIS, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K