7PZB

Structure of the Clr-cAMP-DNA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	50.710, 72.900, 199.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.200 - 3.120
R-factor	0.2914
Rwork	0.289
R-free	0.33310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cyd
RMSD bond length	0.005
RMSD bond angle	1.082
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.150	3.230
High resolution limit [Å]	3.120	3.120
Rmerge	0.056	0.481
Rmeas	0.064	0.621
Number of reflections	9719	74
<I/σ(I)>	11.08	1.87
Completeness [%]	70.2	5.53
Redundancy	4.3	2
CC(1/2)	1.000	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	281	0.2 M 1,6-hexanediol, 0.2 M 1-butanol, 0.2 M (RS)-1,2-butanediol, 0.2 M 2-propanol, 0.2 M 1,4-butanediol, 0.2 M 1,3-propanediol, 0.1 M MOPS/HEPES-Na pH 7.5, 12.5% (v/v) MPD, 12.5% (w/v) PEG 1000, 12.5% (w/v) PEG3350, 0.44 mM Clr, 25 mM cGMP, 25 mM magnesium chloride, 0.55 mM dsDNA