7YC7

Dark, fully reduced structure of the MmCPDII-DNA complex as produced at SwissFEL

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]	298
Detector technology	PIXEL
Collection date	2021-09-20
Detector	PSI JUNGFRAU 16M
Wavelength(s)	1.0875
Spacegroup name	P 21 21 21
Unit cell lengths	72.440, 115.920, 169.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.080 - 1.950
R-factor	0.1551
Rwork	0.154
R-free	0.17500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ye0
RMSD bond length	0.016
RMSD bond angle	1.438
Data reduction software	CrystFEL
Data scaling software	pointless
Phasing software	REFMAC
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.080	1.950
High resolution limit [Å]	1.930	1.930
Number of reflections	107711	5332
<I/σ(I)>	13.28	1.84
Completeness [%]	100.0	100
Redundancy	2102.1	441.2
CC(1/2)	0.997	0.503

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	4.6	296	100 mM Sodium Acetate pH 4.6 250 mM ammonium sulfate 4% PEG4000 (w/v) 50 mM DTT