8PO8

Structure of Escherichia coli HrpA in complex with ADP and oligonucleotide poly(dC)11 forming an i-motif

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977770
Spacegroup name	P 21 21 21
Unit cell lengths	80.260, 105.973, 177.552
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.980 - 2.520
R-factor	0.212
Rwork	0.210
R-free	0.24270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.747
Data reduction software	XDS (BUILT 20190315)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.997	2.564
High resolution limit [Å]	2.520	2.521
Rmerge	0.106	0.852
Rmeas	0.115	0.925
Rpim	0.044	0.356
Number of reflections	48761	2508
<I/σ(I)>	12.3	1.9
Completeness [%]	94.0	98.7
Redundancy	6.6	6.5
CC(1/2)	0.998	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	10% PEG 3350 4% Tacsimate