7U7O

Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional T-A 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	2020-12-18
Detector	RDI CMOS_8M
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	72.141, 129.124, 131.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.420 - 2.970
R-factor	0.2468
Rwork	0.245
R-free	0.25840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7u6k
RMSD bond length	0.005
RMSD bond angle	0.897
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]	37.420	3.150
High resolution limit [Å]	2.970	2.970
Rmerge	0.105	0.935
Rmeas	0.114	1.006
Rpim	0.043	0.368
Number of reflections	13010	2078
<I/σ(I)>	16.8	2
Completeness [%]	99.8	99.9
Redundancy	7.1	7.4
CC(1/2)	0.998	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	300 mM MgCl2, 28% PEG 400, and 80 mM Tris HCl