7OYX

E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D Y87S F88Y S247D in complex with spermidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 2
Unit cell lengths	117.155, 71.493, 92.661
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.700 - 1.370
R-factor	0.1657
Rwork	0.165
R-free	0.19330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a99
RMSD bond length	0.017
RMSD bond angle	1.453
Data reduction software	XDS (20190806)
Data scaling software	XSCALE (20190806)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.700	1.410
High resolution limit [Å]	1.370	1.370
Rmerge	0.154	3.290
Rmeas	0.166	3.540
Rpim	0.061	1.295
Number of reflections	163742	16029
<I/σ(I)>	7.21	0.46
Completeness [%]	99.8	98.9
Redundancy	7.4	7.3
CC(1/2)	0.997	0.240

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	293	2.4 M AmSO4 + 0.1 M Bicine pH 8.3 + 4.5% Jeffamine M600