8VFJ

Polymerase Beta Host Guest Complex Containing FapydG base paired with TMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-16
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	55.378, 80.890, 58.302
Unit cell angles	90.00, 110.15, 90.00

Refinement procedure

Resolution	24.750 - 2.140
R-factor	0.2151
Rwork	0.211
R-free	0.26490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.150
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.190
High resolution limit [Å]	2.140	2.140
Number of reflections	34645	1266
<I/σ(I)>	18.2
Completeness [%]	98.5
Redundancy	3.3
CC(1/2)	0.998	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	14-22% PEG 3350 0.05 M Imidazole pH 8.0 0.35 M Sodium Acetate