6ODD

Crystal structure of the human complex ACP-ISD11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	I 21 3
Unit cell lengths	123.190, 123.190, 123.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.553 - 2.000
R-factor	0.1937
Rwork	0.193
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wgb
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MoRDa
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.553	43.553	2.120
High resolution limit [Å]	2.000	5.940	2.000
Rmerge	0.077	0.033	1.804
Rmeas	0.078	0.034	1.827
Total number of observations	843114
Number of reflections	21240	868	3339
<I/σ(I)>	32.54	112.51	1.53
Completeness [%]	99.7	99.7	98.3
Redundancy	39.695	38.732	39.382
CC(1/2)	1.000	1.000	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	The drop was a 1:1 mix of protein (in 10 mM Tris buffer, 25 mM NaCl, pH 7.5) and reservoir solution (0.1 M Tris pH 9.1, 0.1 M CaCl2, 23% tert-butanol)