7B20

DtxR-like iron-dependent regulator IdeR complexed with iron 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	2020-04-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97624
Spacegroup name	C 1 2 1
Unit cell lengths	194.123, 112.661, 88.548
Unit cell angles	90.00, 117.28, 90.00

Refinement procedure

Resolution	54.290 - 2.180
R-factor	0.2113
Rwork	0.209
R-free	0.24590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7b1v
RMSD bond length	0.002
RMSD bond angle	1.096
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]	54.290	2.440
High resolution limit [Å]	2.180	2.180
Rmerge	0.093	1.136
Rmeas	0.100	1.229
Rpim	0.038	0.463
Number of reflections	54157	2708
<I/σ(I)>	11.4	1.7
Completeness [%]	91.1	59.7
Redundancy	6.9	6.7
CC(1/2)	0.998	0.516

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