9QGV

SciA(H42Q) endonuclease from Escherichia phage T5 in complex with 10 bp DNA (GCGC sequence 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	80
Detector technology	PIXEL
Collection date	2024-05-13
Detector	DECTRIS EIGER2 X CdTe 9M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	33.290, 71.690, 40.230
Unit cell angles	90.00, 97.17, 90.00

Refinement procedure

Resolution	35.840 - 1.550
R-factor	0.2057
Rwork	0.204
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.251
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.850	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.105
Number of reflections	27207	1366
<I/σ(I)>	7.9	0.914
Completeness [%]	100.0	100
Redundancy	6.6
CC(1/2)	0.996	0.274

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	0.2 M sodium acetate trihydrate and 20% (w/v) PEG 3350 (PEGIon screen condition G2, Hampton Research)