8OET

SFX structure of the class II photolyase complexed with a thymine dimer

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	32.460 - 2.110
R-factor	0.1618
Rwork	0.160
R-free	0.19620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.995
Data reduction software	CrystFEL (0.10)
Data scaling software	CrystFEL (0.10)
Phasing software	PHASER (phenix 1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.460	5.420	2.072
High resolution limit [Å]	2.000	4.307	2.035
Number of reflections	96204	4934	4755
<I/σ(I)>	22.919011	78.01	0.36
Completeness [%]	100.0	100	100
Redundancy	6068.312898	16220.6	463.3
CC(1/2)	0.999	0.999	0.067

Crystallization Conditions

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