7B1V

DtxR-like iron-dependent regulator IdeR complexed with cobalt

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-26
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97950
Spacegroup name	P 1
Unit cell lengths	43.888, 45.564, 66.275
Unit cell angles	109.12, 93.20, 113.98

Refinement procedure

Resolution	61.100 - 2.040
R-factor	0.2335
Rwork	0.232
R-free	0.26180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u8r
RMSD bond length	0.002
RMSD bond angle	1.149
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]	61.100	2.220
High resolution limit [Å]	2.040	2.040
Rmerge	0.058	0.579
Rmeas	0.069	0.748
Rpim	0.037	0.465
Number of reflections	17216	862
<I/σ(I)>	10.3	1.5
Completeness [%]	83.5	54.2
Redundancy	3.3	2.4
CC(1/2)	0.997	0.658

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	25%(w/v) PEG 1500