6M7F

Wild-type Cucumene Synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	300
Detector technology	PIXEL
Collection date	2017-03-01
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	63.741, 95.846, 102.299
Unit cell angles	90.00, 96.92, 90.00

Refinement procedure

Resolution	29.897 - 3.051
R-factor	0.2472
Rwork	0.244
R-free	0.29930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ps1
RMSD bond length	0.003
RMSD bond angle	0.573
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.900	3.160
High resolution limit [Å]	3.050	3.050
Rmerge	0.147	0.672
Rpim	0.093	0.424
Number of reflections	23205	23205
<I/σ(I)>	5.7
Completeness [%]	98.6	92.6
Redundancy	3.4	3.4
CC(1/2)	0.995	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	25% PEG 3350, 0.1mM Bis-Tris