6JUO

MsDpo4-DNA complex 4

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	2016-04-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	54.100, 81.030, 210.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.177 - 2.160
R-factor	0.20301
Rwork	0.200
R-free	0.25513
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jul
RMSD bond length	0.024
RMSD bond angle	2.187
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.177	2.280
High resolution limit [Å]	2.160	2.160
Rmerge	0.105	0.549
Rpim	0.039	0.199
Number of reflections	50583	7237
<I/σ(I)>	12.4	4.2
Completeness [%]	100.0	100
Redundancy	8.4
CC(1/2)	0.996	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	297	PEG 2KMME 12%, 0.2mM NaCl, Bis Tris Propane 6.0