8DAY

Crystal Structure of DMATS1 prenyltransferase in complex with L-Tyr and DMSPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	90.066, 107.717, 180.722
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	92.530 - 2.550
R-factor	0.2162
Rwork	0.215
R-free	0.25060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Alphafold
RMSD bond length	0.004
RMSD bond angle	0.780
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	107.700	2.620
High resolution limit [Å]	2.550	2.550
Rmerge	0.086	1.339
Rpim	0.036	0.597
Number of reflections	57998	4450
<I/σ(I)>	13.2	1.4
Completeness [%]	99.8	100
Redundancy	6.6
CC(1/2)	0.999	0.565

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.9	294	7.5 mg/mL protein, 0.1 M Tris-HCl (pH 8.9), 0.6 M NaCl, 23% (v/v) PEG 3,350