7YEK

TR-SFX MmCPDII-DNA complex: 500 ns time-point collected in SACLA. Includes 500 ns, dark, and extrapolated structure factors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL2
Synchrotron site	SACLA
Beamline	BL2
Temperature [K]	298
Detector technology	CCD
Collection date	2019-05-28
Detector	MPCCD
Wavelength(s)	1.0875
Spacegroup name	P 21 21 21
Unit cell lengths	72.530, 115.710, 169.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.290 - 2.400
R-factor	0.2201
Rwork	0.220
R-free	0.23230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ydz
RMSD bond length	0.005
RMSD bond angle	0.634
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]	35.290	2.260
High resolution limit [Å]	2.240	2.240
Number of reflections	69334	3429
<I/σ(I)>	7.55	1.35
Completeness [%]	100.0
Redundancy	460.26
CC(1/2)	0.991	0.514

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