6A1E

Crystal structure of a synthase 1 from Santalum album in complex with ligand fps

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	85.611, 139.498, 110.962
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.320 - 1.890
R-factor	0.156
Rwork	0.154
R-free	0.19880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ong
RMSD bond length	0.009
RMSD bond angle	1.425
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	1.960
High resolution limit [Å]	1.890	1.890
Rmerge	0.047	0.491
Rmeas	0.040	0.017
Rpim	0.017	0.007
Total number of observations	503665
Number of reflections	53005	8989
<I/σ(I)>	13.2
Completeness [%]	99.5	100
Redundancy	4.1	4.1
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