8XJR

Apo form of DNA polymerase SFM4-3 recognizing C2 methyoxy nucleotide

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	2021-06-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	I 21 21 21
Unit cell lengths	64.222, 113.206, 198.403
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.700 - 1.970
R-factor	0.19618
Rwork	0.194
R-free	0.24161
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.101
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	2.000
High resolution limit [Å]	1.970	5.350	1.970
Rmerge	0.087	0.057	0.583
Rmeas	0.092	0.061	0.619
Rpim	0.029	0.020	0.203
Total number of observations	502296
Number of reflections	51203	2646	2534
<I/σ(I)>	5.2
Completeness [%]	99.8	96.5	100
Redundancy	9.8	9.5	9.3
CC(1/2)	0.994	0.996	0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1M HEPES pH7.5, 1.5M Lithium sulfate