4NUI

Crystal structure of cobalt-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 1 21 1
Unit cell lengths	37.309, 52.213, 43.541
Unit cell angles	90.00, 93.25, 90.00

Refinement procedure

Resolution	24.348 - 1.700
R-factor	0.1575
Rwork	0.156
R-free	0.19120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u53
RMSD bond length	0.006
RMSD bond angle	0.971
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]	24.348	1.790
High resolution limit [Å]	1.700	1.700
Number of reflections	35898
Completeness [%]	99.5	99.2
Redundancy		7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	30% PEG4000, 20 mM MOPS, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K