3SSE

DNA binding domain of restriction endonuclease bound to DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-12-23
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	36.046, 69.087, 143.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.410 - 2.700
R-factor	0.223
Rwork	0.216
R-free	0.29200
RMSD bond length	0.005
RMSD bond angle	0.876
Data reduction software	MOSFLM (6.2.6)
Data scaling software	SCALA (3.2.19)
Phasing software	MOLREP (9.2.10)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.257	62.260	2.850
High resolution limit [Å]	2.700	8.540	2.700
Rmerge	0.132	0.043	0.440
Total number of observations		1852	8477
Number of reflections	10488
<I/σ(I)>	14.7	11.1	1.7
Completeness [%]	100.0	98.5	100
Redundancy	5.6	4.8	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop	5.5	292	0.1 M Bis-Tris (pH 5.5), 0.2 M NH4Cl, 30% PEG4000, sitting drop, temperature 292K