7OYS

E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D Y87S 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	2018-12-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	37.256, 78.579, 114.435
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.290 - 1.570
R-factor	0.1755
Rwork	0.174
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a99
RMSD bond length	0.004
RMSD bond angle	0.751
Data reduction software	XDS (20180808)
Data scaling software	XSCALE (20180808)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.290	1.630
High resolution limit [Å]	1.570	1.570
Rmerge	0.098	2.027
Rmeas	0.108	2.242
Rpim	0.045	0.943
Number of reflections	260238	25374
<I/σ(I)>	10.35	0.73
Completeness [%]	99.6	99.5
Redundancy	5.5	5.4
CC(1/2)	0.999	0.256

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.7	293	0.085 M Sodium acetate pH 4.7, 0.17M Ammonium acetate, 32.5% PEG 4000, 15% Glycerol