9QGX

SciA(H42A) endonuclease from Escherichia phage T5 in complex with 10 bp DNA (GCGC sequence 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	80
Detector technology	PIXEL
Collection date	2023-12-09
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.95373
Spacegroup name	P 1 21 1
Unit cell lengths	33.125, 72.122, 40.334
Unit cell angles	90.00, 96.63, 90.00

Refinement procedure

Resolution	32.900 - 2.350
R-factor	0.2196
Rwork	0.217
R-free	0.26650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.484
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]	36.060	2.380
High resolution limit [Å]	2.347	2.347
Rmerge	0.206	2.053
Number of reflections	7927	361
<I/σ(I)>	6.2	0.5
Completeness [%]	99.6	90
Redundancy	6.7	4.4
CC(1/2)	0.988	0.297

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	0.2 M sodium acetate trihydrate pH 7.0 and 20% (w/v) PEG 3350 (PEGIon screen condition G2, Hampton Research)