7B0C

[4Fe-4S]-NsrR complexed to 23-bp HmpA1 operator fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00001
Spacegroup name	P 65
Unit cell lengths	118.810, 118.810, 89.530
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.450 - 3.000
R-factor	0.2202
Rwork	0.219
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n07
RMSD bond length	0.004
RMSD bond angle	0.704
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.540	3.180
High resolution limit [Å]	3.000	3.000
Rmerge	0.059	1.900
Number of reflections	14398	2320
<I/σ(I)>	9.6
Completeness [%]	99.3	99.9
Redundancy	3.5
CC(1/2)	0.999	0.332

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 550 MME, PEG 20000, magnesium chloride, calcium chloride, MOPS/HEPES