1RR8

Structural Mechanisms of Camptothecin Resistance by Mutations in Human Topoisomerase I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2002-02-04
Detector	MARRESEARCH
Wavelength(s)	1.1
Spacegroup name	P 1 21 1
Unit cell lengths	57.590, 115.585, 75.010
Unit cell angles	90.00, 96.29, 90.00

Refinement procedure

Resolution	19.700 - 2.600
R-factor	0.292
Rwork	0.242
R-free	0.29400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k4t
RMSD bond length	0.054
RMSD bond angle	2.200
Data reduction software	TRUNCATE
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.020	2.760
High resolution limit [Å]	2.600	2.600
Number of reflections	27855
Completeness [%]	92.9	81.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	PEG 8000, 200mM Lithium Sulfate, 100mM Mes, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG
2	1	1	LiSO4
3	1	1	MES
4	1	2	PEG
5	1	2	LiSO4