8PO7

Structure of Escherichia coli HrpA in complex with ADP and dinucleotide dCdC

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	2019-01-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979183
Spacegroup name	P 21 21 21
Unit cell lengths	80.470, 106.124, 178.276
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.140 - 2.260
R-factor	0.1918
Rwork	0.190
R-free	0.23150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.186
Data reduction software	XDS (BUILT 20180409)
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.190	2.295
High resolution limit [Å]	2.257	2.257
Rmerge	0.219	1.710
Rmeas	0.228	1.776
Rpim	0.063	0.476
Number of reflections	70047	3566
<I/σ(I)>	15.5	3.3
Completeness [%]	96.6	99.8
Redundancy	13
CC(1/2)	0.993	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.03M NaNO3 0.03M Na2HPO4 0.03L (NH4)2SO4 0.1M MES-Imidazole 20% ethylene glycol 10% PEG 8000