8T5Y

Structure of Rhodococcus sp. USK13 DarR(K44A)-cAMP complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	45.409, 60.510, 84.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.200 - 1.440
R-factor	0.1866
Rwork	0.186
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.892
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.200	1.460
High resolution limit [Å]	1.440	1.440
Rpim	0.020	0.433
Number of reflections	543824	2153
<I/σ(I)>	22.5	2
Completeness [%]	100.0
Redundancy	15.4
CC(1/2)	1.000	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	800 mM Succinic acid pH 7.0