3M4A

Crystal structure of a bacterial topoisomerase IB in complex with DNA reveals a secondary DNA binding site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-01-01
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	119.670, 53.440, 77.360
Unit cell angles	90.00, 96.33, 90.00

Refinement procedure

Resolution	19.824 - 1.650
R-factor	0.19487
Rwork	0.193
R-free	0.22169
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f4q
RMSD bond length	0.008
RMSD bond angle	1.290
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.000	1.690
High resolution limit [Å]	1.650	1.650
Rmerge	0.053	0.325
Number of reflections	56385
<I/σ(I)>	24.1	4.1
Completeness [%]	96.2	89.5
Redundancy	4.7	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	283	30% PEG 400 (w/v), 0.1 M sodium acetate (pH 4.5), 0.2 M calcium chloride. 1:1 molar ratio of protein and DNA, VAPOR DIFFUSION, HANGING DROP, temperature 283K
1	VAPOR DIFFUSION, HANGING DROP	4.5	283	30% PEG 400 (w/v), 0.1 M sodium acetate (pH 4.5), 0.2 M calcium chloride. 1:1 molar ratio of protein and DNA, VAPOR DIFFUSION, HANGING DROP, temperature 283K