6L8U

Crystal structure of human BCDIN3D in complex with SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	48.140, 140.340, 86.420
Unit cell angles	90.00, 105.44, 90.00

Refinement procedure

Resolution	41.650 - 2.925
R-factor	0.2148
Rwork	0.212
R-free	0.27040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5una
RMSD bond length	0.005
RMSD bond angle	0.856
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.12-2829_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.650	41.650	3.000
High resolution limit [Å]	2.925	13.080	2.930
Rmerge	0.205	0.068	2.373
Rmeas	0.217	0.073	2.517
Number of reflections	23888	273	1785
<I/σ(I)>	8.26	24.31	1.1
Completeness [%]	99.7	94.5	99.1
Redundancy	9.161	8.125	8.866
CC(1/2)	0.995	0.995	0.658

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% (w/v) PEG3350, 200 mM CaCl2.