9B3B

Structure of TDP1 complexed with compound IB09

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	50.023, 104.748, 193.241
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.140 - 1.620
R-factor	0.1616
Rwork	0.160
R-free	0.18940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.443
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	1.650
High resolution limit [Å]	1.620	1.620
Rpim	0.027	0.297
Number of reflections	122336	5701
<I/σ(I)>	24.7	2
Completeness [%]	94.2
Redundancy	5.2
CC(1/2)	0.999	0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1M MOPS/HEPES pH 7.5, 10% (w/v) PEG 8000, 20% (w/v) ethylene glycol, 0.03M sodium fluoride, 0.03 M sodium bromide, 0.03 sodium iodide