7T8I

Crystal structure of the ImmR transcriptional regulator DNA-binding domain of Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.87260
Spacegroup name	I 1 2 1
Unit cell lengths	54.033, 48.340, 64.460
Unit cell angles	90.00, 97.47, 90.00

Refinement procedure

Resolution	43.970 - 2.100
R-factor	0.2631
Rwork	0.259
R-free	0.34640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold model
RMSD bond length	0.014
RMSD bond angle	1.293
Data reduction software	iMOSFLM
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.970	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.255	0.617
Rpim	0.186	0.433
Number of reflections	9322	464
<I/σ(I)>	3.3
Completeness [%]	94.0	71.5
Redundancy	2.8
CC(1/2)	0.904	0.591

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Suitable crystals of ImmR-DBD were obtained with 18%(w) PEG 3350, 10 mM magnesium chloride, 50 mM Tris-HCl pH 8.5 as reservoir solution