4HDN

Crystal Structure of ArsAB in the Substrate-Free State.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-11
Detector	ADSC QUANTUM 210r
Spacegroup name	P 21 21 21
Unit cell lengths	51.325, 78.041, 151.826
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.240
R-factor	0.209
Rwork	0.205
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.718
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.240	2.240
Rmerge	0.059	0.548
Number of reflections	30131
<I/σ(I)>	17.8
Completeness [%]	99.4	88.8
Redundancy	11.7	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	298	12.5% MEPEG 5000, 100 mM MOPS, 20 mM NaCl, 10 mM phloroglucinol, 12% ethylene glycol , pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K