1MW8

Crystal Structure of a Complex between H365R mutant of 67 kDA N-terminal fragment of E. coli DNA Topoisomerase I and 5'-ACTTCGGGATG-3'

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	103
Detector technology	CCD
Collection date	2001-12-07
Detector	MARRESEARCH
Wavelength(s)	0.95
Spacegroup name	P 21 21 21
Unit cell lengths	63.392, 79.148, 141.798
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.000 * - 1.900
R-factor	0.22595
Rwork	0.223
R-free	0.27200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	H365R mutant apo form
RMSD bond length	0.013 *
RMSD bond angle	1.650 *
Data scaling software	SCALA
Phasing software	CNS
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000
High resolution limit [Å]	1.900
Rmerge	0.069	0.334 *
Total number of observations	209779 *
Number of reflections	53723
<I/σ(I)>	7.7
Completeness [%]	95.5	66.4 *
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	287	ammonium sulfate, sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 287K
1	VAPOR DIFFUSION, HANGING DROP	5	287	ammonium sulfate, sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 287K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	(NH4)2(SO4)
2	1	1	(Na)(C2H3O2)
3	1	2	(Na)(C2H3O2)

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2.1 (M)