9YSO

Human DCTPP1 bound to a Class II 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-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-05
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92011
Spacegroup name	P 1
Unit cell lengths	60.553, 61.021, 73.919
Unit cell angles	71.21, 75.06, 71.85

Refinement procedure

Resolution	28.680 - 1.700
R-factor	0.1753
Rwork	0.174
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.846
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]	28.680	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	99668	9892
<I/σ(I)>	7.26
Completeness [%]	97.7
Redundancy	3.5
CC(1/2)	0.992	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	100mM Tris pH 7.5, 10% PEG3350, 200mM Proline