7B25

DtxR-like iron-dependent regulator IdeR (Q43A variant) complexed with cobalt and its consensus DNA-binding sequence

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97622
Spacegroup name	C 1 2 1
Unit cell lengths	192.656, 110.856, 86.752
Unit cell angles	90.00, 116.85, 90.00

Refinement procedure

Resolution	93.160 - 2.340
R-factor	0.268
Rwork	0.267
R-free	0.28310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7b1v
RMSD bond length	0.003
RMSD bond angle	1.146
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.160	2.630
High resolution limit [Å]	2.340	2.340
Rmerge	0.130	1.218
Rmeas	0.141	1.323
Rpim	0.054	0.511
Number of reflections	36928	1847
<I/σ(I)>	9.1	1.8
Completeness [%]	89.5	61.1
Redundancy	6.8	6.5
CC(1/2)	0.997	0.599

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	29%(w/v) PEG 3350, 0.28 M ammonium sulfate, 0.1 M MES