8JV4

Structure of the SAR11 PotD in complex with DMSP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	70.160, 78.383, 79.453
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.295 - 1.445
R-factor	0.123
Rwork	0.122
R-free	0.14680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.925
Data reduction software	XDS (Jan 10, 2022 (BUILT 20220820))
Data scaling software	Aimless (0.5.29)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.800	1.470
High resolution limit [Å]	1.445	1.445
Rmeas	0.054	0.553
Rpim	0.015	0.207
Number of reflections	77717	3260
<I/σ(I)>	23.3	2.1
Completeness [%]	98.4	83.7
Redundancy	11.6	6.5
CC(1/2)	0.999	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	The protein in complex with DMSP was crystallized in drops containing 1 ul protein solution (60 mg/ml protein in buffer containing 10 mM HEPES, 150 mM NaCl, 15 mM DMSP-Cl, pH 7.5) and 1 ul reservoir solution (100 mM MES pH 6.5, 18% w/v mPEG 550).