9FYI

[4Fe-4S] Cluster-Containing L-Cysteine Desulfidase CyuA from Methanococcus maripaludis

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	2022-06-03
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980112
Spacegroup name	P 21 21 21
Unit cell lengths	67.121, 79.148, 156.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.620 - 2.937
R-factor	0.2239
Rwork	0.222
R-free	0.26140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.890
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASES
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.123	78.123	3.191
High resolution limit [Å]	2.937	8.886	2.946
Rmeas	0.119	0.062	1.970
Number of reflections	15210	748	748
<I/σ(I)>	11.519	28.786	1.248
Completeness [%]	92.8	100	43.02
Redundancy	10.91	10.31	10.33
CC(1/2)	0.996	0.991	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	ANAEROBY (<1.5 ppm O2) 13 % PEG 4000, 0.1 M NaCl, 0.1 M tri-sodium citrate dihydrate pH 5.5, 0.1 M LiSO4, 10 % glycerol