7QNU

SMYD3 in complex with fragment FL08619

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976256
Spacegroup name	P 21 21 21
Unit cell lengths	59.931, 65.886, 105.085
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.080 - 1.640
R-factor	0.1869
Rwork	0.185
R-free	0.22950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6z2r
RMSD bond length	0.009
RMSD bond angle	0.874
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]	41.080	1.699
High resolution limit [Å]	1.640	1.640
Rmerge	0.214
Rpim		1.548
Number of reflections	48981	149
<I/σ(I)>	6.45
Completeness [%]	75.0
Redundancy	6.2
CC(1/2)	0.991	0.134

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