6A1I

Crystal structure of a synthase 1 from Santalum album

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-01-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	85.668, 139.531, 110.922
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.340 - 1.600
R-factor	0.1597
Rwork	0.158
R-free	0.19070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ong
RMSD bond length	0.010
RMSD bond angle	1.440
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.037	0.487
Rmeas	0.040	0.017
Rpim	0.017	0.007
Total number of observations	503665
Number of reflections	87392	8989
<I/σ(I)>	18.3
Completeness [%]	99.9	100
Redundancy	5.8	5.7
CC(1/2)		1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Ammonium Sulfate, HEPES, MgCl2