8DAZ

Crystal structure of DMATS1 prenyltransferase in complex with L-Trp and GSPP

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	2022-02-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	89.832, 107.357, 179.301
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	92.110 - 2.490
R-factor	0.2371
Rwork	0.236
R-free	0.26080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Alphafold
RMSD bond length	0.005
RMSD bond angle	0.910
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.110	2.640
High resolution limit [Å]	2.490	2.490
Rmerge	0.109	1.420
Rpim	0.031	0.396
Number of reflections	51807	2592
<I/σ(I)>	13.2	2.1
Completeness [%]	94.8	74.7
Redundancy	13.4
CC(1/2)	0.998	0.708

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 8.8), 0.6 M NaCl, 24% (v/v) PEG 3,350