7XM0

Crystal structure of Sau3AI-C and DNA substrate complex

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	2012-04-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9789
Spacegroup name	P 21 21 21
Unit cell lengths	62.943, 98.391, 209.455
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.230 - 2.600
R-factor	0.1956
Rwork	0.193
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2reu
RMSD bond length	0.003
RMSD bond angle	0.625
Data reduction software	HKL-2000 (v722)
Data scaling software	HKL-2000 (v722)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.230	2.693
High resolution limit [Å]	2.600	2.600
Rmerge	0.087	0.384
Number of reflections	40245	40245
<I/σ(I)>	22.45
Completeness [%]	98.3
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	289.15	13% PEG 3350, 0.1 M MES (pH 6.5)