7QNR

SMYD3 in complex with fragment FL01791

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.965459
Spacegroup name	P 21 21 21
Unit cell lengths	60.236, 66.218, 105.302
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.560 - 1.570
R-factor	0.2041
Rwork	0.203
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6z2r
RMSD bond length	0.006
RMSD bond angle	0.828
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.560	1.626
High resolution limit [Å]	1.570	1.570
Rmerge	0.134	2.605
Rpim	0.072	1.373
Number of reflections	233855	5660
<I/σ(I)>	7.03	0.5
Completeness [%]	97.8
Redundancy	4
CC(1/2)	0.996	0.171

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M Tris pH 8.25-8.75 0.1M Magnesium acetate 15-18 % PEG 3350