9JWY

Crystal structure of PstS from Candidatus Pelagibacter sp. HTCC7211 in complex with phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	38.270, 46.870, 82.990
Unit cell angles	90.00, 102.99, 90.00

Refinement procedure

Resolution	40.550 - 2.000
R-factor	0.1771
Rwork	0.172
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jwo
RMSD bond length	0.007
RMSD bond angle	0.899
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.870	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	101152	18666
<I/σ(I)>	10.5
Completeness [%]	95.5
Redundancy	5.4
CC(1/2)	0.990	0.976

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	0.2 M Ammonium Chloride, 0.1 M Tris (pH 8.0), 24% (w/v) polyethylene glycol (PEG) 6000