1CY2

COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH TPTPTP3'

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	1998-04-01
Detector	PRINCETON 2K
Spacegroup name	P 21 21 21
Unit cell lengths	62.750, 78.040, 139.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 2.300
R-factor	0.24
Rwork	0.240
R-free	0.28400
RMSD bond length	0.006
RMSD bond angle	21.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.085	0.174
Total number of observations	545417 *
Number of reflections	31167
Completeness [%]	96.3	98.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	4 *	and 14 degrees centigrade *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.5-6 (mg/ml)
2	1	drop	nucleotide	1.45-20 (mM)
3	1	reservoir	ammonium sulfate	2.2-2.3 (M)