4PXG

Crystal Structure of TypeII restriction Enzyme Sau3AI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-07
Detector	MAR CCD 165 mm
Wavelength(s)	0.9789
Spacegroup name	C 2 2 21
Unit cell lengths	69.648, 197.673, 191.145
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.450
R-factor	0.22576
Rwork	0.224
R-free	0.26331
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.361
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SOLVE
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.140	54.140	2.680
High resolution limit [Å]	2.450	6.000	2.450
Rmerge	0.062	0.036	0.331
Number of reflections	47905
<I/σ(I)>		70.9	3.5
Completeness [%]	8.6	7.7	24.3
Redundancy	11.6	12.9	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	16% polyethylene glycol 8000, 1M sodium acetate, 0.2M calcium chloride, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	16% polyethylene glycol 8000, 1M sodium acetate, 0.2M calcium chloride, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K