4L9E

Structure of PpsR Q-PAS1 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	2012-05-04
Detector	PSI PILATUS 6M
Wavelength(s)	0.9765
Spacegroup name	P 61 2 2
Unit cell lengths	50.380, 50.380, 163.310
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.630 - 1.650
R-factor	0.198
Rwork	0.197
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l9f
RMSD bond length	0.006
RMSD bond angle	0.966
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.700
High resolution limit [Å]	1.650	10.000	1.650
Rmerge		0.028	0.558
Number of reflections	15633	101	1299
<I/σ(I)>	21.06	52.89	4.42
Completeness [%]	99.9	100	100
Redundancy	12.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	1.9% (w/v) PEG 3000, 0.2 M magnesium chloride, 0.1 M sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K