4MN6

Crystal structure of truncated PAS domain from 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	2012-12-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	43.650, 61.150, 95.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.820 - 2.100
R-factor	0.2232
Rwork	0.221
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 4MN5
RMSD bond length	0.009
RMSD bond angle	1.390
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.500	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.080	0.011
Number of reflections	15549
<I/σ(I)>	17.5	2.4
Completeness [%]	99.9	100
Redundancy	13.8	14.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	100 mM Tris (pH 8.0), 20 mM ZnCl2, 28% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K