7UV7

Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and scaffold duplex (21mer) containing the cognate REPE54 sequence and an insert duplex (10mer) with guest TAMRA-labelled thymine and 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	2021-10-01
Detector	RDI CMOS_8M
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	73.493, 131.392, 132.464
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.850 - 3.020
R-factor	0.2351
Rwork	0.231
R-free	0.26860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7u6k
RMSD bond length	0.005
RMSD bond angle	0.833
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]	37.850	3.128
High resolution limit [Å]	3.020	3.020
Rmerge	0.071	0.645
Rmeas	0.077	0.693
Rpim	0.030	0.251
Number of reflections	12804	1284
<I/σ(I)>	20.98	2.97
Completeness [%]	96.7	99.69
Redundancy	6.9	7.5
CC(1/2)	0.996	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	200 mM MgCl2, 30% PEG 400, 100 mM Tris HCl pH 8.0