6W7J

Structure of Tdp1 catalytic domain in complex with inhibitor XZ635p

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	49.997, 105.466, 193.574
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.306 - 1.489
R-factor	0.1522
Rwork	0.151
R-free	0.18070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dhu
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.520
High resolution limit [Å]	1.489	1.489
Rmerge	0.037	0.332
Rmeas	0.046	0.406
Rpim	0.018	0.163
Number of reflections	165958	8101
<I/σ(I)>	40.4	3.1
Completeness [%]	98.8
Redundancy	6
CC(1/2)		0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	0.1M MOPS/HEPES-Na pH 7.5, 10% (w/v) PEG 8000, 20% (v/v) ethylene glycol, 0.03 M sodium fluoride, 0.03 M sodium bromide, 0.03 M sodium iodide