7YEC

TR-SFX MmCPDII-DNA complex: 6 ns snapshot. Includes 6 ns, dark, and extrapolated structure factors

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	72.470, 115.930, 169.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.780 - 2.200
R-factor	0.2282
Rwork	0.227
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7yc7
RMSD bond length	0.022
RMSD bond angle	0.800
Data reduction software	CrystFEL
Data scaling software	pointless
Phasing software	REFMAC
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.780	2.120
High resolution limit [Å]	2.100	2.100
Number of reflections	83878	4176
<I/σ(I)>	10.37	1.89
Completeness [%]	100.0	100
Redundancy	902.4
CC(1/2)	0.996	0.517

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