5ZMN

Sulfur binding domain and SRA domain of ScoMcrA complexed with phosphorothioated DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97916
Spacegroup name	I 41 2 2
Unit cell lengths	122.340, 122.340, 313.691
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	113.980 - 3.290
R-factor	0.2526
Rwork	0.251
R-free	0.28780
RMSD bond length	0.018
RMSD bond angle	1.792
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	113.980	3.420
High resolution limit [Å]	3.290	3.300
Number of reflections	34877
<I/σ(I)>	14.1
Completeness [%]	99.9
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287	2.0M ammonium sulfate, 0.1M CAPS buffer, pH 10.5, 0.2M lithium sulfate