7SOZ

Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates chemically crosslinked (5 mg/mL EDC, 12 hours).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2021-04-16
Detector	RDI CMOS_8M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	111.993, 79.181, 74.903
Unit cell angles	90.00, 123.02, 90.00

Refinement procedure

Resolution	37.050 - 3.140
R-factor	0.1972
Rwork	0.193
R-free	0.26320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7rva
RMSD bond length	0.012
RMSD bond angle	1.480
Data reduction software	XDS (Jan 31, 2020)
Data scaling software	XSCALE (Jan 31, 2020)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.050	3.360
High resolution limit [Å]	3.140	3.140
Rmerge	0.085	0.408
Rmeas	0.100	0.480
Rpim	0.052	0.251
Number of reflections	9433	1662
<I/σ(I)>	6.6	1.8
Completeness [%]	97.3	96.2
Redundancy	3.6	3.6
CC(1/2)	0.997	0.965

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	90 mM MgCl2, 3% PEG 400, and 220 mM Tris HCl.