4R5F

X-ray structure of the D199K mutant of the cysteine desulfurase IscS from A. fulgidus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	70.620, 102.890, 108.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.657 - 1.900
R-factor	0.1531
Rwork	0.151
R-free	0.20080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hvk
RMSD bond length	0.011
RMSD bond angle	1.253
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.000	2.000
High resolution limit [Å]	1.900	1.900
Number of reflections	30914
Completeness [%]	97.7	94.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.2 M calcium acetate, 0.1 sodium cacodylate pH 6.5, 15% (v/v) PEG 300, 2% (v/v) PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 295K