7YDZ

TR-SFX MmCPDII-DNA complex: dark state as collected in SACLA

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	2017-12-01
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	47.760 - 2.230
R-factor	0.1646
Rwork	0.163
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7yc7
RMSD bond length	0.010
RMSD bond angle	1.055
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]	47.760	2.250
High resolution limit [Å]	2.230	2.230
Number of reflections	70293	3474
<I/σ(I)>	6.02	1.11
Completeness [%]	100.0
Redundancy	608.43
CC(1/2)	0.989	0.516

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