9SQ2

H/D exchanged human SMUG1 in complex with deuterated uracil

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM07
Synchrotron site	ESRF
Beamline	BM07
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	49.859, 61.136, 93.865
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.360 - 2.310
Rwork	0.239
R-free	0.27490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.370

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.930	2.420	1.600
High resolution limit [Å]	1.540	2.300	1.540
Number of reflections	42729	1523	3969
<I/σ(I)>	17.8	2.2	1.4
Completeness [%]	99.5
Redundancy	12.8
CC(1/2)	0.999	0.591	0.486

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 M Buffer System 3 pH 8.4, 50 % (v/v) P500MME_P20K, 0.12 M Alcohols Mix (Morpheus Screen, Molecular Dimensions), 30% D2O.
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 M Buffer System 3 pH 8.4, 50 % (v/v) P500MME_P20K, 0.12 M Alcohols Mix (Morpheus Screen, Molecular Dimensions), 30% D2O.