6A2C

Crystal structure of a synthase 2 from santalum album in complex with lig2

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	2016-03-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	133.052, 133.052, 142.328
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.940 - 1.940
R-factor	0.194
Rwork	0.192
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ong
RMSD bond length	0.010
RMSD bond angle	1.463
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	2.010
High resolution limit [Å]	1.940	4.170	1.940
Rmerge	0.061	0.026	0.690
Rmeas	0.065	0.028	0.737
Rpim	0.023	0.010	0.257
Total number of observations	757948
Number of reflections	94740	9968	9346
<I/σ(I)>	8.2
Completeness [%]	100.0	100	100
Redundancy	8	7.6	8.1
CC(1/2)		1.000	0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	Ammonium tartrate, PEG 3350, MgCl2