1CYY

CRYSTAL STRUCTURE OF THE 30 KDA FRAGMENT OF E. COLI DNA TOPOISOMERASE I. HEXAGONAL 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	IMAGE PLATE
Collection date	1998-10-01
Detector	MARRESEARCH
Spacegroup name	P 61 2 2
Unit cell lengths	113.850, 113.850, 233.870
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.970 - 2.150
R-factor	0.234
Rwork	0.229
R-free	0.28200
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]	29.000	2.210
High resolution limit [Å]	2.150	2.150
Rmerge	0.048	0.261
Total number of observations	259275 *
Number of reflections	45125
<I/σ(I)>	11.5
Completeness [%]	91.7	85.8
Redundancy	5.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	296	2M AMMONIUM SULFATE, 100MM HEPES PH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K