7UOG

Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and asymmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence.

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	2021-06-30
Detector	RDI CMOS_8M
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	74.901, 131.576, 135.926
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.770 - 2.630
R-factor	0.1972
Rwork	0.195
R-free	0.22080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7u6k
RMSD bond length	0.011
RMSD bond angle	1.361
Data reduction software	XDS (Jan 31, 2020)
Data scaling software	XSCALE (Jan 31, 2020)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.770	2.760
High resolution limit [Å]	2.630	2.630
Rmerge	0.061	0.991
Rmeas	0.066	1.065
Rpim	0.024	0.387
Number of reflections	20312	2663
<I/σ(I)>	21.1	1.9
Completeness [%]	99.8	100
Redundancy	7.3	7.5
CC(1/2)	0.999	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	200 mM MgCl2, 30% PEG 400, and 100 mM Tris HCl