8XWB

Crystal structure of dinitrosyl iron units binding with human heavy chain Ferritin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	F 4 3 2
Unit cell lengths	183.680, 183.680, 183.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.140 - 1.690
R-factor	0.1612
Rwork	0.159
R-free	0.19460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ftv
RMSD bond length	0.008
RMSD bond angle	1.043
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.690	4.610	1.700
Rmerge	0.079	0.064	0.357
Rmeas	0.080	0.065	0.363
Rpim	0.014	0.013	0.067
Number of reflections	30026	1676	1460
<I/σ(I)>	14.2
Completeness [%]	99.9	98.2	100
Redundancy	35	26.2	29
CC(1/2)	0.999	0.999	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	Bicine,Magnesium chloride