7PZA

Structure of the Clr-cAMP-DNA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	50.100, 69.930, 200.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.030 - 2.720
R-factor	0.2723
Rwork	0.271
R-free	0.30390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cyd
RMSD bond length	0.021
RMSD bond angle	2.348
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]	66.030	2.819
High resolution limit [Å]	2.722	2.722
Rmerge	0.145	1.223
Rmeas	0.154	1.315
Rpim	0.050	0.473
Number of reflections	14734	129
<I/σ(I)>	11.35	1.96
Completeness [%]	74.9	6.72
Redundancy	9.3	7.2
CC(1/2)	0.994	0.788

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.09 M sodium fluoride, 0.09 M sodium bromide, 0.09 M sodium iodide, 0.1 M Tris base/BICINE pH 8.5, 12.5% (v/v) MPD, 12.5% (w/v) PEG 1000, 12.5% (w/v) PEG3350, 0.25 mM Clr, 25 mM cAMP, 25 mM magnesium chloride, 0.3125 mM dsDNA