2XQC

DEINOCOCCUS RADIODURANS ISDRA2 TRANSPOSASE COMPLEXED WITH LEFT END RECOGNITION AND CLEAVAGE SITE AND ZN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	1998-07-17
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	49.762, 92.716, 126.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.900
R-factor	0.1758
Rwork	0.176
R-free	0.20890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xo6
RMSD bond length	0.012
RMSD bond angle	4.803
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.050	0.240
Number of reflections	45279
<I/σ(I)>	16.4	4.49
Completeness [%]	96.7	75.9
Redundancy	7.24	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	292	COMPLEX BUFFER: 35MM TRIS-HCL PH8.0, 0.15M NACL, 10MM MGCL2, 0.5 MM TCEP. THE TERNARY COMPLEX WAS FORMED BY MIXING PROTEIN AT 9MG/ML WITH THE LE BINDING SITE DNA AND CLEAVAGE SITE DNA AT A RATIO OF 1:1.1:1.3 CRYSTALS WERE OBTAINED AT 19C BY MIXING THE COMPLEX AT 1:1 WITH WELL SOLUTION OF 10MM ZNCL2, 0.1M NA-ACETATE PH 4.2, 17& PEG 4000. CRYSTALS WERE CRYOPROTECTED IN 20% GLYCEROL.