7N10

Co-crystal structure of Prx with ComR DNA binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.28329
Spacegroup name	P 21 21 21
Unit cell lengths	38.556, 41.918, 90.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.000 - 1.650
R-factor	0.1763
Rwork	0.175
R-free	0.19710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cka
RMSD bond length	0.004
RMSD bond angle	0.655
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.067	0.727
Rpim	0.027	0.316
Number of reflections	18234	918
<I/σ(I)>	15.2	2.3
Completeness [%]	99.9	100
Redundancy	6.1	6.1
CC(1/2)	0.998	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	15 mg/mL protein, 20% PEG3500, 0.2 M potassium acetate