7C8N

Crystal structure of IscU H106A variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 63 2 2
Unit cell lengths	107.021, 107.021, 65.753
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.540 - 1.500
R-factor	0.1782
Rwork	0.177
R-free	0.19660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2z7e
RMSD bond length	0.020
RMSD bond angle	2.819
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]	41.540	41.540	1.600
High resolution limit [Å]	1.500	10.000	1.500
Rmerge	0.047	0.028	0.969
Rmeas	0.049	0.029	1.018
Total number of observations	364743
Number of reflections	35180	128	6155
<I/σ(I)>	24.36	55.88	3.6
Completeness [%]	98.0	75.7	99.3
Redundancy	10.368	8.32	10.608
CC(1/2)	1.000	0.999	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	293	200 mM Ammonium sulfate, 100 mM CAPS, 30 % (v/v) PEG 200