9YSN

Human DCTPP1 bound to a Class I 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 1
Unit cell lengths	61.637, 63.727, 67.627
Unit cell angles	78.44, 78.10, 64.71

Refinement procedure

Resolution	26.660 - 2.300
R-factor	0.2116
Rwork	0.211
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.653
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]	26.780	2.382
High resolution limit [Å]	2.300	2.300
Number of reflections	39267	3930
<I/σ(I)>	10.77
Completeness [%]	97.7	97.28
Redundancy	3.6	3.7
CC(1/2)	0.996	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	100mM Tris pH 7.5; 4% PEG3350; 400mM Proline