8XK9

ternary complex of DNA polymerase SFM4-3 recognizing C2 methyoxy nucleotide

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 43
Unit cell lengths	105.986, 105.986, 191.722
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.100 - 2.400
R-factor	0.17934
Rwork	0.177
R-free	0.21791
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.447
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.132	0.083	0.619
Rmeas	0.142	0.090	0.673
Rpim	0.054	0.035	0.263
Total number of observations	561436
Number of reflections	82487	4197	4102
<I/σ(I)>	5.8
Completeness [%]	99.9	99.4	100
Redundancy	6.8	6.6	6.4
CC(1/2)	0.982	0.993	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1 M HEPES pH 7.5, 10% propanol, and 20% PEG 4000