7KUA

Crystal structure of the MarR family transcriptional regulator from Pseudomonas putida bound to Indole 3 acetic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03322
Spacegroup name	P 31 2 1
Unit cell lengths	57.557, 57.557, 91.384
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.990 - 1.890
R-factor	0.1823
Rwork	0.178
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cjn
RMSD bond length	0.010
RMSD bond angle	0.918
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.910
High resolution limit [Å]	1.880	1.880
Number of reflections	14591	715
<I/σ(I)>	33.4
Completeness [%]	99.9
Redundancy	8.3
CC(1/2)	1.000	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Anatrace MCSG2 screen 35 % (v/v) Microlytic Mix(1), pH 7.0, which consists of: 1.8305 M Malonic acid, 0.25 M Ammonium citrate tribasic, 0.12 M Succinic acid, 0.3 M DL-Malic acid, 0.4 M Sodium acetate trihydrate, 0.5 M Sodium formate, 0.16 M Ammonium tartrate dibasic, the mixture titrated to pH 7.0 using sodium hydroxide