8OY4

Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (300 ps pump-probe delay)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SwissFEL ARAMIS BEAMLINE ESA
Synchrotron site	SwissFEL ARAMIS
Beamline	ESA
Temperature [K]	293
Detector technology	PIXEL
Collection date	2022-07-02
Detector	PSI JUNGFRAU 16M
Wavelength(s)	1.035
Spacegroup name	P 21 21 21
Unit cell lengths	70.200, 117.760, 170.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.980 - 2.350
R-factor	0.3044
Rwork	0.301
R-free	0.37260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.134
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.980	6.361	2.391
High resolution limit [Å]	2.350	5.056	2.350
Number of reflections	59707	3075	2909
<I/σ(I)>	12.593649	24.05	1.36
Completeness [%]	100.0	100	99.97
Redundancy	702.570905	1418.5	36.4
CC(1/2)	0.986	0.991	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	100 mM Amm sulfate, 100 mM Acetate pH 4.6, 4% PEG 4000, 10 mM Tris pH 7.5, 75 mM NaCl