7XQ5

Crystal structure of ScIno2p-ScIno4p bound promoter DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97847
Spacegroup name	P 31 2 1
Unit cell lengths	97.893, 97.893, 89.780
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.950 - 2.250
R-factor	0.2148
Rwork	0.214
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gnj
RMSD bond length	0.008
RMSD bond angle	1.045
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.950	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.073	1.592
Rmeas	0.043	1.393
Rpim	0.017	0.374
Number of reflections	23995	2327
<I/σ(I)>	30.3	2.4
Completeness [%]	99.4	98.27
Redundancy	19.4
CC(1/2)	1.000	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	0.01 M Cobalt (II) chloride hexahydrate, 0.1 M sodium acetate trihydrate, pH 5.0, 1.2 M 1, 6-hexandiol