9YZA

Isoreticular co-crystal 1 of protein variant Replication Initiator Protein REPE54 (L53G, Q54G, E55G) with symmetrical expanded duplex (31mer) containing insert sequence CCCGGCCGGA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	I 1 2 1
Unit cell lengths	74.346, 124.350, 137.538
Unit cell angles	90.00, 90.30, 90.00

Refinement procedure

Resolution	46.670 - 3.050
R-factor	0.2972
Rwork	0.296
R-free	0.30900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.566
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.670	3.290
High resolution limit [Å]	3.050	3.050
Rmerge	0.079	2.277
Rmeas	0.094	2.695
Rpim	0.050	1.428
Number of reflections	39868	218
<I/σ(I)>	6.6	1.07
Completeness [%]	95.4	99.1
Redundancy	1.8	3.5
CC(1/2)	0.999	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	10 mM Magnesium acetate, 1300 mM Lithium sulfate, 50 mM MES pH 6.5