6A2D

Crystal structure of a synthase 2 from santalum album in complex with ligand1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	132.527, 132.527, 141.903
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.840 - 1.960
R-factor	0.1816
Rwork	0.180
R-free	0.22250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ong
RMSD bond length	0.010
RMSD bond angle	1.453
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.030
High resolution limit [Å]	1.960	4.220	1.960
Rmerge	0.093	0.029	0.866
Rmeas	0.101	0.031	0.939
Rpim	0.039	0.012	0.360
Total number of observations	606547
Number of reflections	90982	9572	8973
<I/σ(I)>	8
Completeness [%]	100.0	100	100
Redundancy	6.7	6.3	6.8
CC(1/2)		0.999	0.735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	285	AMMONIUM TARTRATE, PEG 3350, MGCL2