2ZBK

Crystal structure of an intact type II DNA topoisomerase: insights into DNA transfer mechanisms

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9798
Spacegroup name	P 21 21 21
Unit cell lengths	114.960, 200.530, 329.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 3.560
R-factor	0.313
Rwork	0.312
R-free	0.33300
Structure solution method	SAD
Starting model (for MR)	1mu5 1mx0
RMSD bond length	0.012
RMSD bond angle	1.308
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.600
High resolution limit [Å]	3.500	3.550
Rmerge	0.108	0.524
Number of reflections	88994	46207
<I/σ(I)>	8.1	1.9
Completeness [%]	90.4	75.6
Redundancy	2.7	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	25mM sodium acetate pH4.6, 50mM ammonium sulphate, 6.6% PEG-MME-2000, 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K