7B23

DtxR-like iron-dependent regulator IdeR complexed with cobalt and the SACE_2689 promoter 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	2019-03-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9184
Spacegroup name	C 1 2 1
Unit cell lengths	194.250, 113.125, 89.288
Unit cell angles	90.00, 117.25, 90.00

Refinement procedure

Resolution	94.630 - 2.150
R-factor	0.2274
Rwork	0.226
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7b1v
RMSD bond length	0.002
RMSD bond angle	1.117
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]	94.630	2.410
High resolution limit [Å]	2.150	2.150
Rmerge	0.083	0.984
Rmeas	0.090	1.066
Rpim	0.035	0.406
Number of reflections	59657	2984
<I/σ(I)>	10.9	1.6
Completeness [%]	92.6	71
Redundancy	6.7	6.7
CC(1/2)	0.998	0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	30%(w/v) PEG 2000 MME, 0.2 M ammonium sulfate, 0.1 M sodium acetate