8U1J

N-Terminal domain of DNA-Damage Response Protein C (DdrC) from Deinococcus radiodurans - Crystal form xMJ7102

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97995
Spacegroup name	I 41 2 2
Unit cell lengths	73.410, 73.410, 110.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.790 - 3.000
R-factor	0.2268
Rwork	0.225
R-free	0.25730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.662
Data reduction software	XDS (20190315)
Data scaling software	XSCALE (20230630)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.790	3.023
High resolution limit [Å]	2.972	2.972
Rmerge	0.060	0.462
Rmeas	0.062	0.485
Rpim	0.014	0.107
Number of reflections	3335	164
<I/σ(I)>	33.7	5.4
Completeness [%]	100.0	100
Redundancy	20.9	20.2
CC(1/2)	0.998	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	3.0 ul of protein solution was mixed with 1.0 uL of crystallization solution and hung upside-down in a sealed chamber containing 1mL of well solution. During crystallization, an unknown protease contaminant in the protein solution cleaved FL DdrC between residues 98 and 99, allowing for crystallization of residues 1-98. Protein solution: 257uM DdrC, 800mM NaCl 20mM Tris, pH 8.0 5% (v/v) Glycerol Unknown protease contaminant Crystallization solution (Midas1 - MD1-59 condition #91): 15% (v/v) Sokolan-CP42 200mM Potassium citrate tribasic Well solution: 3.25M Ammonium sulfate