9MLO

Drimenol Synthase - Farnesyl Thiol Complex

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	P 41 21 2
Unit cell lengths	154.741, 154.741, 132.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.600 - 2.640
R-factor	0.2186
Rwork	0.217
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.017
Data reduction software	autoPROC
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.600	2.689
High resolution limit [Å]	2.640	2.643
Rmerge	0.406	3.920
Rmeas	0.419	3.920
Rpim	0.101	0.928
Number of reflections	47665	2337
<I/σ(I)>	7	0.9
Completeness [%]	99.9	100
Redundancy	17
CC(1/2)	0.993	0.339

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	13 mg/mL AsDMS, Tris-HCl, NaCl, TCEP, glycerol, farnesyl S-thiolodiphosphate (FSPP), Magnesium chloride hexahydrate, Sodium citrate tribasic dihydrate, Jeffamine ED-2001