6B02

Crystal structure of CfFPPS2 (apo form), a lepidopteran type-II farnesyl diphosphate synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-20
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	P 31 2 1
Unit cell lengths	113.679, 113.679, 131.026
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	98.450 - 2.820
R-factor	0.2198
Rwork	0.216
R-free	0.29580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yv5
RMSD bond length	0.012
RMSD bond angle	1.538
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	98.450	50.000	2.920
High resolution limit [Å]	2.820	6.070	2.820
Rmerge	0.069	0.031	0.999
Rmeas	0.070	0.033
Rpim	0.022	0.010	0.327
Number of reflections	23898	2553	2242
<I/σ(I)>	9.5
Completeness [%]	99.5	99.8	95.2
Redundancy	10.8	10.5	9.8
CC(1/2)		0.999	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.6	295	20% PEG4000, 0.1 M sodium acetate