5ZMM

Structure of the Type IV phosphorothioation-dependent restriction endonuclease ScoMcrA

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	2011-03-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97892
Spacegroup name	P 21 21 21
Unit cell lengths	130.183, 139.367, 281.005
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	140.500 - 3.150
R-factor	0.2467
Rwork	0.245
R-free	0.27990
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.568
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	140.500	3.260
High resolution limit [Å]	3.150	3.150
Number of reflections	88897
<I/σ(I)>	12.8
Completeness [%]	99.9
Redundancy	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287	0.2M lithium sulfate, 0.1M Tris-HCl, pH 8.5, 13% (w/v) polyethylene glycol (PEG) 4000