6M5B

X-ray crystal structure of cyclic-PIP and DNA complex in a reverse binding orientation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	16.7
Detector technology	PIXEL
Collection date	2019-10-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.91
Spacegroup name	I 41 3 2
Unit cell lengths	82.235, 82.235, 82.235
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.074 - 1.501
R-factor	0.1845
Rwork	0.184
R-free	0.18940
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SOLVE
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.118	41.118	1.590
High resolution limit [Å]	1.500	4.460	1.500
Rmerge	0.053	0.035	0.393
Rmeas	0.054	0.036	0.480
Total number of observations	204128
Number of reflections	14247	555	2153
<I/σ(I)>	26.37	85.72	1.73
Completeness [%]	98.6	99.8	91.7
Redundancy	14.328	21.146	2.549
CC(1/2)	1.000	1.000	0.773

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	12.5% polyethylene glycol monomethyl ether 550, 2.5 mM magnesium chloride hexahydrate, 25 mM HEPES sodium, pH 7.0