2O19

Structure of E. coli topoisomersae III in complex with an 8-base single stranded oligonucleotide. Frozen in glycerol at pH 5.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2003-01-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9479
Spacegroup name	P 43 21 2
Unit cell lengths	102.160, 102.160, 451.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.050 - 2.450
R-factor	0.214
Rwork	0.212
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d6m 1i7d
RMSD bond length	0.010
RMSD bond angle	1.220
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.052	29.050	2.510
High resolution limit [Å]	2.450	10.960	2.450
Rmerge	0.091	0.032	0.302
Total number of observations		3438	21988
Number of reflections	87792
<I/σ(I)>	6.8	17.6	2.6
Completeness [%]	98.3	90.6	94.1
Redundancy	3.9	3.2	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	1.5 M (NH4)SO4, 0.1 M Sodium citrate, 0.5 m NaCl, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	(NH4)SO4
2	1	1	Sodium citrate
3	1	1	NaCl
4	1	1	HOH
5	1	2	(NH4)SO4
6	1	2	Sodium citrate
7	1	2	NaCl
8	1	2	HOH