9FMF

KlenTaq DNA polymerase in a ternary complex with primer/template and a fluorobenzofuran-modified dUTP (FBFdUTP)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976230
Spacegroup name	P 31 2 1
Unit cell lengths	110.040, 110.040, 91.327
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.140 - 2.100
R-factor	0.1894
Rwork	0.187
R-free	0.23270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.994
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((dev_5340: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.664	2.230
High resolution limit [Å]	2.100	2.100
Number of reflections	545067	11717
<I/σ(I)>	11.3
Completeness [%]	95.7	100
Redundancy	7.87
CC(1/2)	0.998	0.250

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Nextal Nucleix Suite condition D12: 0.2 M Ammonium chloride, 0.01 M Calcium chloride, 0.05 M TRIS HCl pH 8.5, 20% (w/v) PEG 4000