1LPQ

Human DNA Topoisomerase I (70 Kda) In Non-Covalent Complex With A 22 Base Pair DNA Duplex Containing an 8-oxoG Lesion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	CCD
Detector	BRANDEIS
Spacegroup name	P 1 21 1
Unit cell lengths	57.200, 122.500, 72.000
Unit cell angles	90.00, 97.40, 90.00

Refinement procedure

Resolution	20.000 * - 3.140
Rwork	0.256
R-free	0.30000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.410 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.190
High resolution limit [Å]	3.140	3.140
Rmerge	0.059 *	0.300
Total number of observations	38120 *
Number of reflections	17165
<I/σ(I)>	11.9	2.7
Completeness [%]	95.6	90.5
Redundancy	2.22 *	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.8	22 *	Stewart, L., (1998) Science, 279, 1534. *

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	Tris-HCl
2	1	1	MES
3	1	1	PEG 400
4	1	1	MgCl2
5	1	1	dithiothreitol
6	1	2	MgCl2

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		5 (mM)	pH6.0
10	1	drop	EDTA	0.3 (mM)
2	1	drop	MES-HCl	8.6 (mM)	pH6.8
3	1	drop	PEG400	12 (%(v/v))
4	1	drop		62 (mM)
5	1	drop		14 (mM)
6	1	drop	oligonucleotide	0.01 (mM)
7	1	drop		0.9 (mM)
8	1	drop	protein	1.4 (mg/ml)
9	1	drop	water		0.002ml