7F14

Crystal structure of isomerase Dcr3 complex with substrate analogue 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.1
Spacegroup name	P 63 2 2
Unit cell lengths	104.094, 104.094, 138.681
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.730 - 2.400
R-factor	0.2117
Rwork	0.207
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f0o
RMSD bond length	0.008
RMSD bond angle	1.018
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.730	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.077	0.682
Number of reflections	17929	1830
<I/σ(I)>	25.7	4.7
Completeness [%]	99.8	99.6
Redundancy	19.9	20.5
CC(1/2)	0.999	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM Tris-HCl (pH8.5), 15% w/v PEG8000, 250 mM KF