6Q4S

Crystal structure of a-eudesmol synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 61 2 2
Unit cell lengths	103.140, 103.140, 139.665
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.380 - 1.830
R-factor	0.1991
Rwork	0.197
R-free	0.24120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ps1
RMSD bond length	0.019
RMSD bond angle	1.779
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.380	1.900
High resolution limit [Å]	1.830	1.830
Rmerge	0.064	1.962
Number of reflections	38890	3646
<I/σ(I)>	18	1.2
Completeness [%]	99.5	97.5
Redundancy	10.4	10.8
CC(1/2)	1.000	0.586

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	0.2 M MgCl2, 10% (v/v) propan-2-ol, 0.1 M HEPES pH 7.5