6A2A

Crystal structure of a synthase 2 from santalum album

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	133.006, 133.006, 142.604
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.940 - 1.770
R-factor	0.2095
Rwork	0.207
R-free	0.25130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ong
RMSD bond length	0.013
RMSD bond angle	1.550
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	1.830
High resolution limit [Å]	1.770	3.810	1.770
Rmerge	0.052	0.022	0.866
Rmeas	0.054	0.023	0.903
Rpim	0.015	0.007	0.252
Number of reflections	124261	13015	12236
<I/σ(I)>	9.7
Completeness [%]	100.0	100	100
Redundancy	12.9	12.7	12.2
CC(1/2)		1.000	0.902

Crystallization Conditions

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