4MN5

Crystal structure of PAS domain of S. aureus YycG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	58.820, 60.510, 84.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.641 - 2.000
R-factor	0.2221
Rwork	0.221
R-free	0.25270
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.070
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.250	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.070	0.742
Number of reflections	20961
<I/σ(I)>	15.8	2.5
Completeness [%]	99.7	99.7
Redundancy	9.3	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	100 mM Tris (pH 8.0), 20 mM ZnCl2, 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K