1CY0

COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH 3'-5'-ADENOSINE DIPHOSPHATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	1997-07-01
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	63.040, 73.310, 134.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.980 - 2.450
R-factor	0.22
Rwork	0.220
R-free	0.27400
RMSD bond length	0.007
RMSD bond angle	22.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	999.000	2.520
High resolution limit [Å]	2.450	2.450
Rmerge	0.069	0.238
Total number of observations	246384 *
Number of reflections	24161
Completeness [%]	96.3	66.8

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)