8C1U

SFX structure of D.m(6-4)photolyase

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]	293.15
Detector technology	PIXEL
Collection date	2021-09-24
Detector	PSI JUNGFRAU 16M
Wavelength(s)	1
Spacegroup name	P 41
Unit cell lengths	103.900, 103.900, 52.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.930 - 1.700
R-factor	0.1708
Rwork	0.170
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.156
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.930	1.710
High resolution limit [Å]	1.700	1.700
Number of reflections	61453	2414
<I/σ(I)>	6.89
Completeness [%]	100.0
Redundancy	352.35

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.5	277.15	100 mM bis-tris pH=6.5, 200 mM lithium sulphate monohydrate, 22 % PEG 3350, 0.5 % Ethyl acetate.