5ZMO

Sulfur binding domain of ScoMcrA complexed with phosphorothioated DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97853
Spacegroup name	C 1 2 1
Unit cell lengths	88.022, 57.148, 42.320
Unit cell angles	90.00, 101.35, 90.00

Refinement procedure

Resolution	47.650 - 1.690
R-factor	0.1901
Rwork	0.188
R-free	0.22730
RMSD bond length	0.017
RMSD bond angle	1.888
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.690	1.700
Number of reflections	22244
<I/σ(I)>	11.4
Completeness [%]	97.0
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287	0.1M HEPES, pH 7.5, 0.8M ammonium phosphate monobasic, 0.8M potassium phosphate monobasic, 1% glycerol