7UFX

Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and scaffold-insert duplexes (21mer and 10mer) containing the cognate REPE54 sequence and an additional G-C 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	74.809, 129.493, 137.118
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.000 - 2.800
R-factor	0.1977
Rwork	0.195
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7u6k
RMSD bond length	0.005
RMSD bond angle	0.906
Data reduction software	XDS (June 30, 2021)
Data scaling software	XSCALE (June 30, 2021)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.000	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.058	1.019
Rmeas	0.062	1.096
Rpim	0.023	0.399
Number of reflections	16760	17966
<I/σ(I)>	27.1
Completeness [%]	99.8
Redundancy	7.3
CC(1/2)	0.999	0.725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	180 mM MgCl2, 20% PEG 400, and 100 mM Tris HCl