7VS4

Crystal structure of PacII_M1M2S-DNA(m6A)-SAH complex

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-10-03
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	109.095, 121.668, 129.753
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.170 - 2.550
R-factor	0.1835
Rwork	0.181
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vru
RMSD bond length	0.008
RMSD bond angle	0.991
Data reduction software	HKL-2000 (v1.0)
Data scaling software	HKL-2000
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.170	2.641
High resolution limit [Å]	2.550	2.550
Rmerge	0.024	0.319
Rmeas	0.033	0.435
Rpim	0.023	0.319
Number of reflections	56313	5361
<I/σ(I)>	18.54	2.71
Completeness [%]	98.8
Redundancy	1.6
CC(1/2)	0.998	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.15 M di-ammonium hydrogen phosphate, 25% PEG 3350, 0.2M Li2SO4, 0.1 M Tris pH 8.5, 20% PEG 3350 (another condition)