8J6W

Full length crystal structure of Escherichia coli Fur

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9870
Spacegroup name	P 43 21 2
Unit cell lengths	69.222, 69.222, 73.273
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.380 - 2.660
R-factor	0.2444
Rwork	0.241
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.166
Data reduction software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.380	2.790
High resolution limit [Å]	2.660	2.660
Number of reflections	5436	690
<I/σ(I)>	32.6	6.7
Completeness [%]	99.6
Redundancy	1
CC(1/2)	0.995	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	0.2M Potassium chloride,0.01M Magnesium chloride hexahydrate,0.05M MSA monohydrate,5%w/vPolyethylene glycol,pH=5.6