7YE0

DF-SFX MmCPDII-DNA complex: steady state oxidized complex

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	2018-05-27
Detector	MPCCD
Wavelength(s)	1.0875
Spacegroup name	P 21 21 21
Unit cell lengths	72.580, 115.870, 169.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.279 - 2.750
R-factor	0.1964
Rwork	0.194
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zcw
RMSD bond length	0.003
RMSD bond angle	0.766
Data reduction software	CrystFEL
Data scaling software	pointless
Phasing software	REFMAC
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.285	2.740
High resolution limit [Å]	2.690	2.690
Number of reflections	74762	4381
<I/σ(I)>	3.47	1.26
Completeness [%]	100.0	100
Redundancy	77.42	36
CC(1/2)	0.990	0.537

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