7RTK

Structure of the (NIAU)2 complex with N-terminal mutation of ISCU2 Y35D at 2.5 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	P 41 21 2
Unit cell lengths	86.350, 86.350, 246.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.000 - 2.500
R-factor	0.1711
Rwork	0.169
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6uxe
RMSD bond length	0.003
RMSD bond angle	0.576
Data reduction software	AutoProcess
Data scaling software	XSCALE
Phasing software	AutoProcess
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.000	49.000	2.620
High resolution limit [Å]	2.500	5.000	2.500
Rmerge	0.150	0.063	1.011
Rmeas	0.157	0.066	1.053
Total number of observations	429761
Number of reflections	33254	4458	4286
<I/σ(I)>	14.26	32.44	2.7
Completeness [%]	100.0	99.8	100
Redundancy	12.924	12.18	12.79
CC(1/2)	0.998	0.999	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	288	0.1 M MES pH 5.5 22.5 % PEG 400