7YCR

TR-SFX MmCPDII-DNA complex: 450 ps snapshot. Includes 450ps, 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	16.760 - 2.150
R-factor	0.2328
Rwork	0.233
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7yc7
RMSD bond length	0.013
RMSD bond angle	0.811
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]	16.780	2.100
High resolution limit [Å]	2.080	2.080
Number of reflections	86283	4275
<I/σ(I)>	10.17	1.92
Completeness [%]	100.0	100
Redundancy	825.9	419.3
CC(1/2)	0.995	0.515

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