5UI5

Crystal structure of Aquifex aeolicus sigmaN bound to promoter DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.987
Spacegroup name	P 32
Unit cell lengths	99.921, 99.921, 123.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.990 - 3.400
R-factor	0.291
Rwork	0.289
R-free	0.33600
Structure solution method	MIR
RMSD bond length	0.004
RMSD bond angle	0.907
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	autoSHARP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	3.520
High resolution limit [Å]	3.400	3.400
Rmerge	0.140	0.903
Number of reflections	18717
<I/σ(I)>	20.42
Completeness [%]	99.0	100
Redundancy	13.1	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	50 mM sodium cacodylate, pH 6.5, 0.2 M KCl, 0.1 M Mg-acetate, 14%-18% Polyethylene glycol 8000
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	50 mM sodium cacodylate, pH 6.5, 0.2 M KCl, 0.1 M Mg-acetate, 14%-18% Polyethylene glycol 8000