9Y62

Human DNA polymerase beta crosslinked ternary complex with Sp-dCTP-alpha-S

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	47.683, 77.875, 54.778
Unit cell angles	90.00, 105.63, 90.00

Refinement procedure

Resolution	45.920 - 2.100
Rwork	0.204
R-free	0.25660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.682
Data reduction software	XDS
Data scaling software	Aimless (0.8.2)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0431 (refmacat 0.4.126))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.920	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.090	0.090
Number of reflections	20468	20477
<I/σ(I)>	9.6
Completeness [%]	90.8
Redundancy	3.8
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1 M Sodium Citrate pH 5.5, 18% PEG6000