8H5Y

Crystal structure of RadD- ADP complex

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	2018-05-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	82.089, 78.770, 110.238
Unit cell angles	90.00, 99.56, 90.00

Refinement procedure

Resolution	19.962 - 2.700
R-factor	0.225618664591
Rwork	0.223
R-free	0.26896
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jde
RMSD bond length	0.012
RMSD bond angle	1.469
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.12-2829_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.770
High resolution limit [Å]	2.700	2.700
Rmeas	0.127
Number of reflections	53976	2644
<I/σ(I)>	13.87
Completeness [%]	99.9
Redundancy	6.8
CC(1/2)	0.993	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		286	500 mM NaCl, 5 mM MgCl2 and 18% [w/v] PEG3350