1CY9

CRYSTAL STRUCTURE OF THE 30 KDA FRAGMENT OF E. COLI DNA TOPOISOMERASE I. MONOCLINIC FORM

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	1997-11-01
Spacegroup name	P 1 21 1
Unit cell lengths	36.820, 146.550, 64.570
Unit cell angles	90.00, 106.48, 90.00

Refinement procedure

Resolution	27.500 - 1.800
R-factor	0.205
Rwork	0.205
R-free	0.24200
RMSD bond length	0.008
RMSD bond angle	23.700 *
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.069	0.255
Total number of observations	237667 *
Number of reflections	54367
<I/σ(I)>	7.5
Completeness [%]	89.9	76.5
Redundancy	4.4	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	4 *	11-13%(W/V) PEG 3500, 20MM MES PH 6.0, 50MM KCL, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG3500	11-13 (%(w/v))
2	1	reservoir	MES	20 (mM)
3	1	reservoir		50 (mM)