7C8M

Crystal structure of IscU wild-type

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	85.290, 67.140, 47.420
Unit cell angles	90.00, 123.61, 90.00

Refinement procedure

Resolution	48.790 - 3.500
R-factor	0.2251
Rwork	0.221
R-free	0.29170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2z7e
RMSD bond length	0.007
RMSD bond angle	1.509
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]	48.790	48.790	3.600
High resolution limit [Å]	3.500	10.000	3.500
Rmerge	0.182	0.059	0.983
Rmeas	0.199	0.065	1.095
Total number of observations	17912
Number of reflections	2867	135	234
<I/σ(I)>	6.35	18.42	1.39
Completeness [%]	98.1	96.4	90
Redundancy	6.248	6.081	5.162
CC(1/2)	0.997	0.999	0.666

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	30 % (w/v) PEG 1500