7CNV

Crystal structure of IscU H106C variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	64.820, 104.080, 65.280
Unit cell angles	90.00, 106.12, 90.00

Refinement procedure

Resolution	46.510 - 2.230
R-factor	0.21082
Rwork	0.210
R-free	0.23255
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c8n
RMSD bond length	0.034
RMSD bond angle	2.025
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.510	46.510	2.330
High resolution limit [Å]	2.230	10.000	2.230
Rmerge	0.078	0.043	0.971
Rmeas	0.084	0.047	1.049
Total number of observations	285637
Number of reflections	40566	472	4977
<I/σ(I)>	13.36	37.41	2.12
Completeness [%]	99.9	97.9	99.9
Redundancy	7.041	6.712	7.005
CC(1/2)	0.998	0.997	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M Lithium sulfate, 0.1 M Sodium cacodylate, 30% (w/v) PEG400