6ES2

Structure of CDX2-DNA(CAA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-02
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.972420
Spacegroup name	I 1 2 1
Unit cell lengths	70.248, 46.695, 128.634
Unit cell angles	90.00, 101.40, 90.00

Refinement procedure

Resolution	66.190 - 2.950
R-factor	0.2103
Rwork	0.208
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lty
RMSD bond length	0.015
RMSD bond angle	1.918
Data reduction software	XDS
Data scaling software	Aimless (0.5.25)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.190	55.960	3.130
High resolution limit [Å]	2.950	8.860	2.950
Rmerge	0.077	0.038	0.830
Rmeas	0.093	0.047	0.993
Rpim	0.051	0.027	0.539
Number of reflections	8494	341	1264
<I/σ(I)>	7.5
Completeness [%]	96.6	97.4	90.5
Redundancy	3.2	2.8	3.2
CC(1/2)	0.998	0.998	0.611

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	27 % PME 5000, 0.15M potassium chloride, 0.1M magnesium chloride, 8% PEG 400, 0.05M TRIS buffer