7QLB

SMYD3 in complex with fragment FL06268

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-25
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97628
Spacegroup name	P 21 21 21
Unit cell lengths	60.938, 66.329, 108.165
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.330 - 1.800
R-factor	0.1519
Rwork	0.150
R-free	0.18330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6z2r
RMSD bond length	0.009
RMSD bond angle	0.963
Data scaling software	Aimless (0.7.4)
Refinement software	PHENIX (1.20rc4_4425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.330	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.019	0.144
Rmeas	0.027	0.204
Number of reflections	82041	7484
<I/σ(I)>	24.1	4.87
Completeness [%]	99.2	93.17
Redundancy	2	2
CC(1/2)	0.999	0.950

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