7U6K

Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical 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	75.261, 132.066, 134.986
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.620 - 2.380
R-factor	0.1867
Rwork	0.182
R-free	0.22390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7rva
RMSD bond length	0.011
RMSD bond angle	1.205
Data reduction software	XDS (Jan 31, 2020)
Data scaling software	XSCALE (Jan 31, 2020)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.620	2.470
High resolution limit [Å]	2.380	2.380
Rmerge	0.047	1.156
Rmeas	0.051	1.243
Rpim	0.019	0.455
Number of reflections	27319	2835
<I/σ(I)>	26.8	1.8
Completeness [%]	99.8	100
Redundancy	7.4	7.4
CC(1/2)	1.000	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	400 mM MgCl2, 24% PEG 400, and 80 mM Tris HCl