4HH2

Structure of PpsR without the HTH motif from Rb. sphaeroides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-02
Detector	PSI PILATUS 6M
Wavelength(s)	0.9483
Spacegroup name	P 32 2 1
Unit cell lengths	117.450, 117.450, 211.820
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.971 - 2.800
R-factor	0.1841
Rwork	0.181
R-free	0.23480
RMSD bond length	0.005
RMSD bond angle	0.842
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX-AutoSol
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.043	0.681
Number of reflections	41955
<I/σ(I)>	17.4	2.7
Completeness [%]	99.0	99.6
Redundancy	5.2	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1M tris chloride buffer, 1.9M ammonium sulfate, 12% glycerol, 6% xylitol, 1% dioxane, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K