6WCI

Crystal structure of a cysteine desulfurase SufS from Stenotrophomonas maltophilia K279a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2020-02-13
Detector	RAYONIX MX300-HS
Wavelength(s)	0.97872
Spacegroup name	C 2 2 21
Unit cell lengths	48.260, 219.650, 166.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.350 - 2.050
R-factor	0.1736
Rwork	0.172
R-free	0.22370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6c9e
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (phenix1.17.1-3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.350	45.350	2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.082	0.041	0.615
Rmeas	0.089	0.044	0.659
Total number of observations	439141
Number of reflections	55564	681	4114
<I/σ(I)>	14.34	30.98	3.63
Completeness [%]	99.0	93.5	99.9
Redundancy	7.903	7.142	8.112
CC(1/2)	0.998	0.998	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	287	24 mg/mL StmaA.01104.a.B1.PW38747 + 4 mM L-cysteine against MCSG-1 screen condition F11 (0.2 M ammonium sulfate, 0.1 M HEPES, pH 7.5, 25% PEG3350), supplemented with 15% ethylene glycol as cryoprotectant, unique puck ID njo9-6, crystal tracking ID 313926f11