6A1D

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

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	85.437, 139.487, 110.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.940 - 1.780
R-factor	0.169
Rwork	0.167
R-free	0.20570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ong
RMSD bond length	0.010
RMSD bond angle	1.469
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.840
High resolution limit [Å]	1.780	3.830	1.780
Rmerge	0.050	0.020	0.481
Rmeas	0.059	0.024	0.561
Rpim	0.031	0.012	0.286
Total number of observations	226266
Number of reflections	62747	6451	6215
<I/σ(I)>	12
Completeness [%]	99.1	97.8	99.8
Redundancy	3.6	3.5	3.7
CC(1/2)		0.999	0.786

Crystallization Conditions

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