7UR0

Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and scaffold-insert duplexes (21mer and 10mer) containing the cognate REPE54 sequence and an additional T-A rich sequence, respectively.

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	74.407, 127.493, 135.478
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.610 - 3.300
R-factor	0.2331
Rwork	0.228
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7u6k
RMSD bond length	0.004
RMSD bond angle	0.775
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]	38.610	3.418
High resolution limit [Å]	3.300	3.300
Rmerge	0.385	1.218
Rmeas	0.417	1.314
Rpim	0.160	0.490
Number of reflections	10028	967
<I/σ(I)>	5.91	2.58
Completeness [%]	97.8	96.94
Redundancy	6.9	7.1
CC(1/2)	0.990	0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	120 mM MgCl2, 20% PEG 400, 100 mM Tris HCl pH 8.0