6JUL

MsDpo4-DNA complex 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.953724
Spacegroup name	P 21 21 21
Unit cell lengths	53.960, 80.780, 210.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.173 - 2.300
R-factor	0.20332
Rwork	0.200
R-free	0.25934
Structure solution method	SAD
RMSD bond length	0.024
RMSD bond angle	2.380
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AutoSol
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.173	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.158
Rpim	0.063	0.413
Number of reflections	41973	6034
<I/σ(I)>	10.2	2.2
Completeness [%]	100.0	100
Redundancy	7.1	6.8
CC(1/2)	0.995	0.629

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	15% PEG 2KMME, 0.2M NaCl, Bis Tris Propane pH 6.0,