9YSP

Human DCTPP1 bound to a Class III inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97918
Spacegroup name	P 2 21 21
Unit cell lengths	61.959, 80.964, 99.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.310 - 1.750
R-factor	0.1662
Rwork	0.165
R-free	0.19070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.318
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.310	1.810
High resolution limit [Å]	1.750	1.750
Number of reflections	51348	5068
<I/σ(I)>	25.72
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	1.000	0.985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100mM Tris pH 7.5, 7% PEG3350, 300mM Proline